2-amino-4-(2,5-dimethylthiophen-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2,5-dimethylthiophen-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2,5-dimethylthiophen-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0203 |
| Compound Name: | 2-amino-4-(2,5-dimethylthiophen-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 443.49 |
| Molecular Formula: | C23 H20 F3 N3 O S |
| Smiles: | Cc1cc(C2C(C#N)=C(N)N(C3CCCC(C2=3)=O)c2cccc(c2)C(F)(F)F)c(C)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7774 |
| logD: | 4.7774 |
| logSw: | -4.7853 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.395 |
| InChI Key: | ZGUHRECUDWJUSP-HXUWFJFHSA-N |