N-(4-bromophenyl)-2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4296-0910 |
| Compound Name: | N-(4-bromophenyl)-2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 498.4 |
| Molecular Formula: | C23 H20 Br N3 O3 S |
| Smiles: | Cc1ccc(C2C(C#N)=C(NC3CCCC(C2=3)=O)SCC(Nc2ccc(cc2)[Br])=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6162 |
| logD: | 1.7256 |
| logSw: | -4.3703 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.64 |
| InChI Key: | PQAOKSFLELQGLF-OAQYLSRUSA-N |