methyl 3-[(3,4-dimethylphenyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(3,4-dimethylphenyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(3,4-dimethylphenyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0012 |
| Compound Name: | methyl 3-[(3,4-dimethylphenyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 328.32 |
| Molecular Formula: | C17 H16 N2 O5 |
| Smiles: | Cc1ccc(cc1C)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1246 |
| logD: | 4.1225 |
| logSw: | -4.363 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.885 |
| InChI Key: | ZSHOBYQBAKDEHG-UHFFFAOYSA-N |