methyl 3-(5,6-dimethyl-1H-benzimidazole-1-carbonyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-(5,6-dimethyl-1H-benzimidazole-1-carbonyl)-5-nitrobenzoate
methyl 3-(5,6-dimethyl-1H-benzimidazole-1-carbonyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | 3136-1480 |
| Compound Name: | methyl 3-(5,6-dimethyl-1H-benzimidazole-1-carbonyl)-5-nitrobenzoate |
| Molecular Weight: | 353.33 |
| Molecular Formula: | C18 H15 N3 O5 |
| Smiles: | Cc1cc2c(cc1C)n(cn2)C(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5043 |
| logD: | 3.5043 |
| logSw: | -3.6963 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.633 |
| InChI Key: | DJTAPIFGXDNIAV-UHFFFAOYSA-N |