N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-benzimidazol-5-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-benzimidazol-5-yl}-4-nitrobenzamide
N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-benzimidazol-5-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | D332-0016 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-benzimidazol-5-yl}-4-nitrobenzamide |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C23 H27 N5 O3 |
| Smiles: | CCn1c2ccc(cc2nc1CN1CCCCCC1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3653 |
| logD: | 4.1839 |
| logSw: | -4.0972 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.676 |
| InChI Key: | YKPVQDHLUKSAAL-UHFFFAOYSA-N |