N-(4-acetylphenyl)-2-{[3-cyano-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide--acetic acid (1/1)
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[3-cyano-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide--acetic acid (1/1)
N-(4-acetylphenyl)-2-{[3-cyano-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide--acetic acid (1/1)
Compound characteristics
| Compound ID: | 4296-0403 |
| Compound Name: | N-(4-acetylphenyl)-2-{[3-cyano-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide--acetic acid (1/1) |
| Molecular Weight: | 523.63 |
| Molecular Formula: | C24 H21 N3 O3 S2 |
| Salt: | CH3COOH |
| Smiles: | CC(c1ccc(cc1)NC(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2182 |
| logD: | 0.3277 |
| logSw: | -3.5588 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.392 |
| InChI Key: | RLLVRDNUTWPYCM-QFIPXVFZSA-N |