N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-3-nitrobenzamide
N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | D332-0055 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-3-nitrobenzamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H25 N5 O3 |
| Smiles: | Cn1c2ccc(cc2nc1CN1CCCCCC1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7459 |
| logD: | 3.5153 |
| logSw: | -3.8663 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.761 |
| InChI Key: | NNPQJHHAPVQVNZ-UHFFFAOYSA-N |