N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-(2-tert-butylphenoxy)acetamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-(2-tert-butylphenoxy)acetamide
N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-(2-tert-butylphenoxy)acetamide
Compound characteristics
| Compound ID: | D332-0072 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-(2-tert-butylphenoxy)acetamide |
| Molecular Weight: | 448.61 |
| Molecular Formula: | C27 H36 N4 O2 |
| Smiles: | CC(C)(C)c1ccccc1OCC(Nc1ccc2c(c1)nc(CN1CCCCCC1)n2C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1817 |
| logD: | 4.912 |
| logSw: | -4.8324 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.752 |
| InChI Key: | VNGKQSYQYXMYCX-UHFFFAOYSA-N |