2-(2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
2-(2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D347-0729 |
| Compound Name: | 2-(2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 423.58 |
| Molecular Formula: | C24 H29 N3 O2 S |
| Smiles: | Cc1ccc(cc1C)OCCSc1nc2ccccc2n1CC(N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2461 |
| logD: | 5.2398 |
| logSw: | -4.9412 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.288 |
| InChI Key: | XAQHBAYVKHRVHW-UHFFFAOYSA-N |