2-(ethylsulfanyl)ethyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2576-4132 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 427.61 |
| Molecular Formula: | C25 H33 N O3 S |
| Smiles: | CCc1ccc(cc1)C1C(=C(C)NC2CC(C)(C)CC(C1=2)=O)C(=O)OCCSCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2776 |
| logD: | 0.9905 |
| logSw: | -5.3016 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.969 |
| InChI Key: | RTTVSPBXTUERDY-QFIPXVFZSA-N |