2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-6069 |
| Compound Name: | 2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 545.59 |
| Molecular Formula: | C29 H22 F3 N5 O S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2ccccc2C(F)(F)F)c2cc(Cn3cnc4ccccc34)cs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5605 |
| logD: | 4.5573 |
| logSw: | -4.7194 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.279 |
| InChI Key: | XWFPYFWJKOPBCN-SANMLTNESA-N |