N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-benzimidazol-5-yl}-2-phenoxyacetamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-benzimidazol-5-yl}-2-phenoxyacetamide
N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-benzimidazol-5-yl}-2-phenoxyacetamide
Compound characteristics
| Compound ID: | D332-0175 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-benzimidazol-5-yl}-2-phenoxyacetamide |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C26 H34 N4 O2 |
| Smiles: | CCCCn1c2ccc(cc2nc1CN1CCCCCC1)NC(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.321 |
| logD: | 4.753 |
| logSw: | -5.172 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.834 |
| InChI Key: | CQMMAGOFKDLVJQ-UHFFFAOYSA-N |