2-(ethylsulfanyl)ethyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3192-5316 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(2-chloro-5-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)c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1525 |
| logD: | 1.0285 |
| logSw: | -5.6492 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.351 |
| InChI Key: | JGYOOFZCXSTRRS-FQEVSTJZSA-N |