methyl 3-[methyl(phenyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[methyl(phenyl)carbamoyl]-5-nitrobenzoate
methyl 3-[methyl(phenyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0029 |
| Compound Name: | methyl 3-[methyl(phenyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 314.3 |
| Molecular Formula: | C16 H14 N2 O5 |
| Smiles: | CN(C(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6009 |
| logD: | 2.6009 |
| logSw: | -2.8213 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.163 |
| InChI Key: | JITDORHAGIONML-UHFFFAOYSA-N |