methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0037 |
| Compound Name: | methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 310.26 |
| Molecular Formula: | C13 H14 N2 O7 |
| Smiles: | CCOC(CNC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6244 |
| logD: | 1.6243 |
| logSw: | -2.1133 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.637 |
| InChI Key: | LLOWHSOHSHULDH-UHFFFAOYSA-N |