methyl 3-{[2-(methoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[2-(methoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate
methyl 3-{[2-(methoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | 4130-4949 |
| Compound Name: | methyl 3-{[2-(methoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 358.31 |
| Molecular Formula: | C17 H14 N2 O7 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0599 |
| logD: | 1.3995 |
| logSw: | -3.6828 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.361 |
| InChI Key: | XXJKWHBMHXGOEE-UHFFFAOYSA-N |