2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y508-5277 |
| Compound Name: | 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 469.46 |
| Molecular Formula: | C25 H22 F3 N3 O3 |
| Smiles: | COc1ccc(c(c1)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1cccc(c1)C(F)(F)F)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2728 |
| logD: | 4.2728 |
| logSw: | -4.6407 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.551 |
| InChI Key: | KPHYOYVZYUYIFE-QFIPXVFZSA-N |