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| CAS No.: | 929095-18-1 |
|---|---|
| Name: | GSK461364 |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C27H28F3N5O2S |
| Molecular Weight: | 543.613 |
| Synonyms: | 5-[6-[(4-Methyl-1-piperazinyl)methyl]-1H-benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]-2-thiophenecarboxamide; |
| EINECS: | 200-258-5 |
| Density: | 1.39 g/cm3 |
| Boiling Point: | 658 °C at 760 mmHg |
| Flash Point: | 351.7 °C |
| Appearance: | White to gray solid |
| PSA: | 104.86000 |
| LogP: | 5.66820 |
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- Total:38 Page 1 of 1 1
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Specification
This chemical is called GSK-461364, and it can also be named as 5-[6-[(4-Methyl-1-piperazinyl)methyl]-1H-benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]-2-thiophenecarboxamide. With the molecular formula of C27H28F3N5O2S, its molecular weight is 543.611. The CAS registry number of this chemical is 929095-18-1.
Other characteristics of the GSK-461364 can be summarised as followings: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 52.09; (7)ACD/KOC (pH 5.5): 6.69; (8)ACD/KOC (pH 7.4): 400.34; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 82.08 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 140.9 cm3; (15)Molar Volume: 388.4 cm3; (16)Polarizability: 55.85×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.39 g/cm3; (19)Flash Point: 351.7 °C; (20)Enthalpy of Vaporization: 96.86 kJ/mol; (21)Boiling Point: 658 °C at 760 mmHg; (22)Vapour Pressure: 3.47E-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1ccccc1[C@H](Oc5c(sc(n3cnc2ccc(cc23)CN4CCN(C)CC4)c5)C(=O)N)C
2.InChI: InChI=1/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1
3.InChIKey: ZHJGWYRLJUCMRT-QGZVFWFLBF