dimethyl 5-[3-(2-nitrophenyl)prop-2-enamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[3-(2-nitrophenyl)prop-2-enamido]benzene-1,3-dicarboxylate
dimethyl 5-[3-(2-nitrophenyl)prop-2-enamido]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | Y032-3081 |
| Compound Name: | dimethyl 5-[3-(2-nitrophenyl)prop-2-enamido]benzene-1,3-dicarboxylate |
| Molecular Weight: | 384.34 |
| Molecular Formula: | C19 H16 N2 O7 |
| Smiles: | COC(c1cc(cc(c1)NC(/C=C/c1ccccc1[N+]([O-])=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8877 |
| logD: | 3.8877 |
| logSw: | -4.1639 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.545 |
| InChI Key: | NOLCRWHFTGDDQX-UHFFFAOYSA-N |