2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide--acetic acid (1/1)
Chemical Structure Depiction of
2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide--acetic acid (1/1)
2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide--acetic acid (1/1)
Compound characteristics
| Compound ID: | 4296-0409 |
| Compound Name: | 2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide--acetic acid (1/1) |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Salt: | CH3COOH |
| Smiles: | Cc1ccccc1NC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0477 |
| logD: | 0.1572 |
| logSw: | -3.3765 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.428 |
| InChI Key: | XOVMCCBJGLFHRZ-NRFANRHFSA-N |