1-(azepan-1-yl)-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}ethan-1-one
1-(azepan-1-yl)-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | D347-0113 |
| Compound Name: | 1-(azepan-1-yl)-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}ethan-1-one |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C23 H27 N3 O2 S |
| Smiles: | C1CCCN(CC1)C(Cn1c2ccccc2nc1SCCOc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.677 |
| logD: | 4.6708 |
| logSw: | -4.4719 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.619 |
| InChI Key: | DOHOIUYMVPWIAU-UHFFFAOYSA-N |