methyl {[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
methyl {[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4552-5750 |
| Compound Name: | methyl {[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C20 H20 N2 O3 S |
| Smiles: | Cc1ccccc1C1C(C#N)=C(NC2CCCC(C1=2)=O)SCC(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1906 |
| logD: | 0.4522 |
| logSw: | -3.4387 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.248 |
| InChI Key: | BIZVVJWZGZIYDB-SFHVURJKSA-N |