methyl 3-[(4-acetylphenyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(4-acetylphenyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(4-acetylphenyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0067 |
| Compound Name: | methyl 3-[(4-acetylphenyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 342.31 |
| Molecular Formula: | C17 H14 N2 O6 |
| Smiles: | CC(c1ccc(cc1)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6792 |
| logD: | 2.4517 |
| logSw: | -3.2499 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.712 |
| InChI Key: | QWXWZLSHRKCJOV-UHFFFAOYSA-N |