Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

(6S,9aS)-N-Benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-ylmethyl)-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide

Related Products

Hot Products

Name

(6S,9aS)-N-Benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-ylmethyl)-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide

EINECS N/A
CAS No. 847591-62-2 Density 1.37 g/cm3
PSA 96.68000 LogP 4.28720
Solubility N/A Melting Point N/A
Formula C33H32N4O4 Boiling Point 895.6 °C at 760 mmHg
Molecular Weight 548.641 Flash Point 495.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 847591-62-2 (ICG-001) Hazard Symbols N/A
Synonyms

(6S,9aS)-6-(4-Hydroxybenzyl)-8-naphthalen-1-ylmethyl-4,7-dioxo-hexahydro-pyrazino[1,2-a]pyrimidine-1-carboxylic acid benzylamide;

Article Data 2

(6S,9aS)-N-Benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-ylmethyl)-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide Specification

The 2H-Pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide, hexahydro-6-[(4-hydroxyphenyl)methyl]-8-(1-naphthalenylmethyl)-4,7-dioxo-N-(phenylmethyl)-, (6S,9aS)- with CAS registry number of 847591-62-2 is also known as (6S,9aS)-6-(4-Hydroxybenzyl)-8-naphthalen-1-ylmethyl-4,7-dioxo-hexahydro-pyrazino[1,2-a]pyrimidine-1-carboxylic acid benzylamide. The systematic name is (6S,9aS)-N-Benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-ylmethyl)-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide. In addition, the formula is C33H32N4O4 and the molecular weight is 548.63.

Physical properties about 2H-Pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide, hexahydro-6-[(4-hydroxyphenyl)methyl]-8-(1-naphthalenylmethyl)-4,7-dioxo-N-(phenylmethyl)-, (6S,9aS)- are: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 652.08; (6)ACD/BCF (pH 7.4): 650.04; (7)ACD/KOC (pH 5.5): 3598.12; (8)ACD/KOC (pH 7.4): 3586.86; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7 (12)Index of Refraction: 1.722; (13)Molar Refractivity: 157.71 cm3; (14)Molar Volume: 398.4 cm3; (15)Surface Tension: 74.8 dyne/cm; (16)Density: 1.37 g/cm3; (17)Flash Point: 495.4 °C; (18)Enthalpy of Vaporization: 134.62 kJ/mol; (19)Boiling Point: 895.6 °C at 760 mmHg (20)Vapour Pressure: 5.48E-34 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C3N(C[C@@H]2N(C(=O)NCc1ccccc1)CCC(=O)N2[C@H]3Cc4ccc(O)cc4)Cc6c5ccccc5ccc6
2. InChI: InChI=1/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41)/t29-,30+/m0/s1
3. InChIKey: HQWTUOLCGKIECB-XZWHSSHBBT
4. Std. InChI: InChI=1S/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41)/t29-,30+/m0/s1
5. Std. InChIKey: HQWTUOLCGKIECB-XZWHSSHBSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 847591-62-2