N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide
N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide
Compound characteristics
| Compound ID: | D332-0073 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-(4-nitrophenoxy)acetamide |
| Molecular Weight: | 437.5 |
| Molecular Formula: | C23 H27 N5 O4 |
| Smiles: | Cn1c2ccc(cc2nc1CN1CCCCCC1)NC(COc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.76 |
| logD: | 3.4902 |
| logSw: | -3.8859 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.047 |
| InChI Key: | ULEYCVKBXMMQAP-UHFFFAOYSA-N |