2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-3256 |
| Compound Name: | 2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 508.02 |
| Molecular Formula: | C28 H30 Cl N3 O4 |
| Smiles: | Cc1c(cccc1[Cl])N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5997 |
| logD: | 4.5997 |
| logSw: | -4.726 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.054 |
| InChI Key: | XNTSLWBITKQXDK-DEOSSOPVSA-N |