1-(azepan-1-yl)-2-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)ethan-1-one
1-(azepan-1-yl)-2-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D347-0452 |
| Compound Name: | 1-(azepan-1-yl)-2-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)ethan-1-one |
| Molecular Weight: | 423.58 |
| Molecular Formula: | C24 H29 N3 O2 S |
| Smiles: | Cc1ccc(cc1)OCCSc1nc2ccccc2n1CC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.129 |
| logD: | 5.1227 |
| logSw: | -4.7838 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.619 |
| InChI Key: | ADPRKRMSQYZGNM-UHFFFAOYSA-N |