N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide
N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide
Compound characteristics
| Compound ID: | D332-0109 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C25 H31 N5 O4 |
| Smiles: | CCCn1c2ccc(cc2nc1CN1CCCCCC1)NC(COc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.857 |
| logD: | 4.289 |
| logSw: | -4.5716 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.215 |
| InChI Key: | CYZOCLYTSNBHHO-UHFFFAOYSA-N |