4-{[1-(ethoxycarbonyl)piperidin-4-yl]amino}-3,5-dinitrobenzoic acid
Chemical Structure Depiction of
4-{[1-(ethoxycarbonyl)piperidin-4-yl]amino}-3,5-dinitrobenzoic acid
4-{[1-(ethoxycarbonyl)piperidin-4-yl]amino}-3,5-dinitrobenzoic acid
Compound characteristics
| Compound ID: | K781-1395 |
| Compound Name: | 4-{[1-(ethoxycarbonyl)piperidin-4-yl]amino}-3,5-dinitrobenzoic acid |
| Molecular Weight: | 382.33 |
| Molecular Formula: | C15 H18 N4 O8 |
| Smiles: | CCOC(N1CCC(CC1)Nc1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3179 |
| logD: | -0.9268 |
| logSw: | -2.324 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 126.152 |
| InChI Key: | MVDHJFWHVDBWQM-UHFFFAOYSA-N |