2-amino-1-(3-chloro-4-methylphenyl)-4-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-chloro-4-methylphenyl)-4-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-chloro-4-methylphenyl)-4-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-8468 |
| Compound Name: | 2-amino-1-(3-chloro-4-methylphenyl)-4-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 463.96 |
| Molecular Formula: | C26 H26 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1[Cl])N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1ccc(c(c1)O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3474 |
| logD: | 4.3274 |
| logSw: | -4.3684 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.555 |
| InChI Key: | QTSMAFVXJWDZRG-QHCPKHFHSA-N |