N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide
N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide
Compound characteristics
| Compound ID: | D332-0035 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C24 H29 N5 O4 |
| Smiles: | CCn1c2ccc(cc2nc1CN1CCCCCC1)NC(COc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3996 |
| logD: | 4.2183 |
| logSw: | -4.1153 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.962 |
| InChI Key: | IHPXVJPIEZHXII-UHFFFAOYSA-N |