2-(ethylsulfanyl)ethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8011-8958 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 478.99 |
| Molecular Formula: | C23 H27 Cl N2 O5 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6073 |
| logD: | 0.3202 |
| logSw: | -4.9488 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.05 |
| InChI Key: | BRHFBVBCWRYZTH-FQEVSTJZSA-N |