2-amino-4-(4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-3737 |
| Compound Name: | 2-amino-4-(4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 427.4 |
| Molecular Formula: | C23 H17 F4 N3 O |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9526 |
| logD: | 3.9526 |
| logSw: | -4.3915 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.377 |
| InChI Key: | OMKLXMSJHRRDTM-HXUWFJFHSA-N |