2-(ethylsulfanyl)ethyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2398-3548 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C25 H33 N O4 S |
| Smiles: | CCOc1ccccc1C1C(=C(C)NC2CC(C)(C)CC(C1=2)=O)C(=O)OCCSCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9648 |
| logD: | 0.6776 |
| logSw: | -4.6724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.179 |
| InChI Key: | PZCGQZHVNMKSPW-QFIPXVFZSA-N |