methyl 3-({4-[acetyl(methyl)amino]phenyl}carbamoyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-({4-[acetyl(methyl)amino]phenyl}carbamoyl)-5-nitrobenzoate
methyl 3-({4-[acetyl(methyl)amino]phenyl}carbamoyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-1608 |
| Compound Name: | methyl 3-({4-[acetyl(methyl)amino]phenyl}carbamoyl)-5-nitrobenzoate |
| Molecular Weight: | 371.35 |
| Molecular Formula: | C18 H17 N3 O6 |
| Smiles: | CC(N(C)c1ccc(cc1)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8708 |
| logD: | 1.8669 |
| logSw: | -2.4875 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.993 |
| InChI Key: | WCNAEGLXRGOLTA-UHFFFAOYSA-N |