butan-2-yl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
butan-2-yl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
butan-2-yl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8011-8614 |
| Compound Name: | butan-2-yl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 385.52 |
| Molecular Formula: | C22 H27 N O3 S |
| Smiles: | CCC(C)OC(C1C(C2=C(CCCC2=O)NC=1C)c1ccc(cc1)SC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.146 |
| logD: | 1.2503 |
| logSw: | -5.0463 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.237 |
| InChI Key: | FAYAZYOTHWAQFX-UHFFFAOYSA-N |