2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-7-(thiophen-2-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)-7-(thiophen-2-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)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4323-7127 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 521.65 |
| Molecular Formula: | C28 H27 N O5 S2 |
| Smiles: | CCSCCOC(C1C(C2=COc3ccccc3C2=O)C2=C(CC(CC2=O)c2cccs2)NC=1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8293 |
| logD: | 0.2945 |
| logSw: | -4.6739 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.609 |
| InChI Key: | SIPNUSYRXSLSJI-UHFFFAOYSA-N |