2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3004-4888 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 419.6 |
| Molecular Formula: | C22 H29 N O3 S2 |
| Smiles: | CCSCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7607 |
| logD: | 0.3211 |
| logSw: | -4.5962 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.987 |
| InChI Key: | GNDRAOBDUMXYSN-FQEVSTJZSA-N |