2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-phenylacetamide
2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | 4552-5691 |
| Compound Name: | 2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C27 H27 N3 O3 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N2)SCC(Nc2ccccc2)=O)c2ccc(cc2)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3671 |
| logD: | 1.2378 |
| logSw: | -4.4265 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.091 |
| InChI Key: | XXTUHRKXONKEEC-DEOSSOPVSA-N |