methyl 3-(benzylcarbamoyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-(benzylcarbamoyl)-5-nitrobenzoate
methyl 3-(benzylcarbamoyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0062 |
| Compound Name: | methyl 3-(benzylcarbamoyl)-5-nitrobenzoate |
| Molecular Weight: | 314.3 |
| Molecular Formula: | C16 H14 N2 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.803 |
| logD: | 2.8023 |
| logSw: | -3.3716 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.207 |
| InChI Key: | DBAQXNKDYYBMIY-UHFFFAOYSA-N |