4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 1921-2247 |
| Compound Name: | 4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 361.27 |
| Molecular Formula: | C19 H18 Cl2 N2 O |
| Smiles: | CC1=C(C#N)C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6986 |
| logD: | 1.7977 |
| logSw: | -4.9449 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.978 |
| InChI Key: | ZSKGAPQDYYYXQF-QGZVFWFLSA-N |