methyl 2-{2-[5-(4-nitrophenyl)-1H-imidazol-1-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[5-(4-nitrophenyl)-1H-imidazol-1-yl]acetamido}benzoate
methyl 2-{2-[5-(4-nitrophenyl)-1H-imidazol-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8014-1275 |
| Compound Name: | methyl 2-{2-[5-(4-nitrophenyl)-1H-imidazol-1-yl]acetamido}benzoate |
| Molecular Weight: | 380.36 |
| Molecular Formula: | C19 H16 N4 O5 |
| Smiles: | COC(c1ccccc1NC(Cn1cncc1c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9622 |
| logD: | 2.9354 |
| logSw: | -3.3393 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.392 |
| InChI Key: | JCLPWRSNTJYBMA-UHFFFAOYSA-N |