methyl 3-[(4-bromo-3-methylphenyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(4-bromo-3-methylphenyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(4-bromo-3-methylphenyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0096 |
| Compound Name: | methyl 3-[(4-bromo-3-methylphenyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 393.19 |
| Molecular Formula: | C16 H13 Br N2 O5 |
| Smiles: | Cc1cc(ccc1[Br])NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3117 |
| logD: | 4.2221 |
| logSw: | -4.4804 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.885 |
| InChI Key: | DUTDUNUFPADAEU-UHFFFAOYSA-N |