N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-3-bromobenzamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-3-bromobenzamide
N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-3-bromobenzamide
Compound characteristics
| Compound ID: | D332-0093 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-3-bromobenzamide |
| Molecular Weight: | 469.42 |
| Molecular Formula: | C24 H29 Br N4 O |
| Smiles: | CCCn1c2ccc(cc2nc1CN1CCCCCC1)NC(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.746 |
| logD: | 5.178 |
| logSw: | -5.3454 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.548 |
| InChI Key: | MKDBSPUIFWKGOR-UHFFFAOYSA-N |