Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
TAK-715 |
EINECS | N/A |
CAS No. | 303162-79-0 | Density | 1.233 g/cm3 |
PSA | 86.61000 | LogP | 6.37920 |
Solubility | N/A | Melting Point |
N/A |
Formula | C24H21N3OS | Boiling Point | 491.036 °C at 760 mmHg |
Molecular Weight | 399.516 | Flash Point | 250.77 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
TAK 715; Kinome_2655; N-(4-(2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl)-2-pyridyl)benzamide; cc-467; UNII-WE92U03C5Z; |
Article Data | 1 |
The TAK-715 is an organic compound with the formula C24H21N3OS. The systematic name of this chemical is N-{4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl}benzamide. With the CAS registry number 303162-79-0, it is also named as benzamide, N-[4-[2-ethyl-4-(3-methylphenyl)-5-thiazolyl]-2-pyridinyl]-.
Physical properties about TAK-715 are: (1)ACD/LogP: 4.39; (2)ACD/LogD (pH 5.5): 5; (3)ACD/LogD (pH 7.4): 5; (4)ACD/BCF (pH 5.5): 1588; (5)ACD/BCF (pH 7.4): 1590; (6)ACD/KOC (pH 5.5): 6800; (7)ACD/KOC (pH 7.4): 6811; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 83.12 Å2; (12)Index of Refraction: 1.656; (13)Molar Refractivity: 118.953 cm3; (14)Molar Volume: 323.893 cm3; (15)Polarizability: 47.157×10-24cm3; (16)Surface Tension: 54.319 dyne/cm; (17)Density: 1.233 g/cm3; (18)Flash Point: 250.77 °C; (19)Enthalpy of Vaporization: 75.768 kJ/mol; (20)Boiling Point: 491.036 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)Nc4nccc(c3sc(nc3c2cc(ccc2)C)CC)c4
(2)InChI: InChI=1/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
(3)InChIKey: HEKAIDKUDLCBRU-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
(5)Std. InChIKey: HEKAIDKUDLCBRU-UHFFFAOYSA-N