propyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
propyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
propyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2786-4461 |
| Compound Name: | propyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C23 H29 N O3 S |
| Smiles: | CCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0557 |
| logD: | 0.7686 |
| logSw: | -4.7661 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.969 |
| InChI Key: | DRLDLYOHRSOLIR-FQEVSTJZSA-N |