2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | 4296-0913 |
| Compound Name: | 2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C25 H25 N3 O3 S |
| Smiles: | CCc1ccc(cc1)NC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(C)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7129 |
| logD: | 1.8224 |
| logSw: | -4.3288 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.64 |
| InChI Key: | UXDYQHIZUJAMBA-HSZRJFAPSA-N |