N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-3-bromobenzamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-3-bromobenzamide
N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-3-bromobenzamide
Compound characteristics
| Compound ID: | D332-0057 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-3-bromobenzamide |
| Molecular Weight: | 441.37 |
| Molecular Formula: | C22 H25 Br N4 O |
| Smiles: | Cn1c2ccc(cc2nc1CN1CCCCCC1)NC(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6489 |
| logD: | 4.419 |
| logSw: | -4.2795 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.38 |
| InChI Key: | MDYVZKBCEKUNJG-UHFFFAOYSA-N |