dimethyl 5-[4-(cyclohexylsulfanyl)-3-nitrobenzamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[4-(cyclohexylsulfanyl)-3-nitrobenzamido]benzene-1,3-dicarboxylate
dimethyl 5-[4-(cyclohexylsulfanyl)-3-nitrobenzamido]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 8010-5332 |
| Compound Name: | dimethyl 5-[4-(cyclohexylsulfanyl)-3-nitrobenzamido]benzene-1,3-dicarboxylate |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C23 H24 N2 O7 S |
| Smiles: | COC(c1cc(cc(c1)NC(c1ccc(c(c1)[N+]([O-])=O)SC1CCCCC1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0897 |
| logD: | 6.0799 |
| logSw: | -5.4026 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.678 |
| InChI Key: | DXSLZZPENCKVJB-UHFFFAOYSA-N |