methyl 4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamido]benzoate
methyl 4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8014-1326 |
| Compound Name: | methyl 4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamido]benzoate |
| Molecular Weight: | 318.29 |
| Molecular Formula: | C14 H14 N4 O5 |
| Smiles: | Cc1ncc([N+]([O-])=O)n1CC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6984 |
| logD: | 1.6982 |
| logSw: | -2.2624 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.012 |
| InChI Key: | IRXDSXUSXPEWMJ-UHFFFAOYSA-N |