2-amino-4-(3-chlorophenyl)-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-chlorophenyl)-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(3-chlorophenyl)-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-9727 |
| Compound Name: | 2-amino-4-(3-chlorophenyl)-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 439.89 |
| Molecular Formula: | C24 H20 Cl F2 N3 O |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2c(cccc2F)F)c2cccc(c2)[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6663 |
| logD: | 4.6663 |
| logSw: | -4.9109 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.775 |
| InChI Key: | VTKYHTUHVWMKSC-HXUWFJFHSA-N |