2-amino-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7064 |
| Compound Name: | 2-amino-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 496.51 |
| Molecular Formula: | C24 H19 F3 N6 O S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2ccccc2C(F)(F)F)c2cc(Cn3cncn3)cs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7729 |
| logD: | 2.7729 |
| logSw: | -3.5816 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.071 |
| InChI Key: | ROVZOLFZMWZQII-NRFANRHFSA-N |