2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-8791 |
| Compound Name: | 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 531.96 |
| Molecular Formula: | C27 H25 Cl F3 N3 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2cc(ccc2[Cl])C(F)(F)F)c2ccc(c(c2)OC)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.726 |
| logD: | 4.726 |
| logSw: | -4.9982 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.337 |
| InChI Key: | BTNMQVPOGUSRFN-QHCPKHFHSA-N |