methyl 3-[(6-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(6-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamoyl]-5-nitrobenzoate
methyl 3-[(6-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | C301-8236 |
| Compound Name: | methyl 3-[(6-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 370.32 |
| Molecular Formula: | C17 H14 N4 O6 |
| Smiles: | Cc1cc2c(cc1NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O)NC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1937 |
| logD: | 2.1823 |
| logSw: | -2.7573 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.914 |
| InChI Key: | LTBNNIYHXFAYOX-UHFFFAOYSA-N |