dimethyl 5-{3-nitro-4-[2-(pyridin-3-yl)piperidin-1-yl]benzamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{3-nitro-4-[2-(pyridin-3-yl)piperidin-1-yl]benzamido}benzene-1,3-dicarboxylate
dimethyl 5-{3-nitro-4-[2-(pyridin-3-yl)piperidin-1-yl]benzamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K618-0012 |
| Compound Name: | dimethyl 5-{3-nitro-4-[2-(pyridin-3-yl)piperidin-1-yl]benzamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 518.53 |
| Molecular Formula: | C27 H26 N4 O7 |
| Smiles: | COC(c1cc(cc(c1)NC(c1ccc(c(c1)[N+]([O-])=O)N1CCCCC1c1cccnc1)=O)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1879 |
| logD: | 4.1675 |
| logSw: | -4.0987 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.85 |
| InChI Key: | LANLRHUGZRZHPV-QFIPXVFZSA-N |