ethyl 4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4306-0636 |
| Compound Name: | ethyl 4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 433.63 |
| Molecular Formula: | C23 H31 N O3 S2 |
| Smiles: | CCc1cc(C2C(=C(C)NC3CC(C)(C)CC(C2=3)=O)C(=O)OCC)c(SCC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8977 |
| logD: | 1.5697 |
| logSw: | -5.3892 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.693 |
| InChI Key: | BSSAIYMLNNQSCM-IBGZPJMESA-N |