2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4552-4058 |
| Compound Name: | 2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C19 H19 N3 O4 S |
| Smiles: | COc1cc(ccc1O)C1C(C#N)=C(NC2CCCC(C1=2)=O)SCC(N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0478 |
| logD: | -1.6905 |
| logSw: | -2.1449 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 98.236 |
| InChI Key: | AGRZLLMHVRIAKP-KRWDZBQOSA-N |