2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3879-6083 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C24 H25 N O5 S |
| Smiles: | CCSCCOC(C1C(C2=COc3ccccc3C2=O)C2=C(CCCC2=O)NC=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4855 |
| logD: | -0.5992 |
| logSw: | -3.8783 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.862 |
| InChI Key: | COOSPPWANMTNDV-NRFANRHFSA-N |