methyl 3-[(4-bromo-2-methylphenyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(4-bromo-2-methylphenyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(4-bromo-2-methylphenyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0095 |
| Compound Name: | methyl 3-[(4-bromo-2-methylphenyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 393.19 |
| Molecular Formula: | C16 H13 Br N2 O5 |
| Smiles: | Cc1cc(ccc1NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1536 |
| logD: | 3.9488 |
| logSw: | -4.3771 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.187 |
| InChI Key: | LAGKCNADOOGDJF-UHFFFAOYSA-N |