2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-8411 |
| Compound Name: | 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 472.9 |
| Molecular Formula: | C24 H20 Cl F3 N4 O |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2cc(ccc2[Cl])C(F)(F)F)c2cccnc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9916 |
| logD: | 3.9916 |
| logSw: | -4.5185 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.594 |
| InChI Key: | CEEDSIZNGQWVLI-FQEVSTJZSA-N |