2-amino-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-9559 |
| Compound Name: | 2-amino-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 473.44 |
| Molecular Formula: | C25 H20 F5 N3 O |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2c(cccc2F)F)c2ccc(cc2)C(F)(F)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9439 |
| logD: | 4.9439 |
| logSw: | -4.8996 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.775 |
| InChI Key: | JGBIPDKSCSWHCD-FQEVSTJZSA-N |