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Name |
NVP-BEP800 |
EINECS | N/A |
CAS No. | 847559-80-2 | Density | 1.396 g/cm3 |
PSA | 122.34000 | LogP | 4.73050 |
Solubility | N/A | Melting Point |
N/A |
Formula | C21H23Cl2N5O2S | Boiling Point | N/A |
Molecular Weight | 480.418 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
VER-82576; |
The NVP-BEP800, with the CAS registry number 847559-80-2, is also known as VER-82576. This chemical's molecular formula is C21H23Cl2N5O2S and molecular weight is 480.4106. What's more, its systematic name is 2-Amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethyl-thieno[2,3-d]pyrimidine-6-carboxamide.
Physical properties about NVP-BEP800 are: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.232; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 10.993; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 121.61 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 126.873 cm3; (15)Molar Volume: 344.106 cm3; (16)Surface Tension: 62.675 dyne/cm; (17)Density: 1.396 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN4CCCC4
(2) InChI: InChI=1/C21H23Cl2N5O2S/c1-2-25-19(29)17-10-13-18(26-21(24)27-20(13)31-17)12-9-16(15(23)11-14(12)22)30-8-7-28-5-3-4-6-28/h9-11H,2-8H2,1H3,(H,25,29)(H2,24,26,27)
(3) InChIKey: WJUNQSYQHHIVFX-UHFFFAOYAE