2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,6-dimethylphenyl)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-(2,6-dimethylphenyl)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-(2,6-dimethylphenyl)acetamide--acetic acid (1/1)
Compound characteristics
| Compound ID: | 4296-0422 |
| Compound Name: | 2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide--acetic acid (1/1) |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C24 H23 N3 O3 S |
| Salt: | CH3COOH |
| Smiles: | Cc1cccc(C)c1NC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4376 |
| logD: | 0.547 |
| logSw: | -3.738 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.73 |
| InChI Key: | CERLLHAQDHXPTC-NRFANRHFSA-N |