N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-benzimidazol-5-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-benzimidazol-5-yl}-4-nitrobenzamide
N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-benzimidazol-5-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | D332-0166 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-benzimidazol-5-yl}-4-nitrobenzamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C25 H31 N5 O3 |
| Smiles: | CCCCn1c2ccc(cc2nc1CN1CCCCCC1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2409 |
| logD: | 4.6729 |
| logSw: | -4.989 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.929 |
| InChI Key: | JIORALKCEAPFEO-UHFFFAOYSA-N |