2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4099-6459 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C27 H29 N O4 S |
| Smiles: | CCSCCOC(C1C(C2=C(CCCC2=O)NC=1C)c1cccc(c1)Oc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3765 |
| logD: | 1.4807 |
| logSw: | -5.3898 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.717 |
| InChI Key: | VGMAXINGOJPORV-VWLOTQADSA-N |