methyl 3-{[(2-methoxyphenyl)methyl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[(2-methoxyphenyl)methyl]carbamoyl}-5-nitrobenzoate
methyl 3-{[(2-methoxyphenyl)methyl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0026 |
| Compound Name: | methyl 3-{[(2-methoxyphenyl)methyl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 344.32 |
| Molecular Formula: | C17 H16 N2 O6 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(NCc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0243 |
| logD: | 3.0236 |
| logSw: | -3.4123 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.838 |
| InChI Key: | DBMYZTFBSHXGJB-UHFFFAOYSA-N |