N-{1-[2-(3-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{1-[2-(3-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}-3-nitrobenzamide
N-{1-[2-(3-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | 4544-0011 |
| Compound Name: | N-{1-[2-(3-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}-3-nitrobenzamide |
| Molecular Weight: | 416.44 |
| Molecular Formula: | C23 H20 N4 O4 |
| Smiles: | Cc1cccc(c1)OCCn1c2ccccc2nc1NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2953 |
| logD: | 5.2919 |
| logSw: | -5.3203 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.943 |
| InChI Key: | XLJYYLHZMWLWOU-UHFFFAOYSA-N |