1-(azepan-1-yl)-2-(2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-(2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)ethan-1-one
1-(azepan-1-yl)-2-(2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D347-0168 |
| Compound Name: | 1-(azepan-1-yl)-2-(2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)ethan-1-one |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C24 H29 N3 O3 S |
| Smiles: | COc1ccccc1OCCSc1nc2ccccc2n1CC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3888 |
| logD: | 4.3825 |
| logSw: | -4.2986 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.336 |
| InChI Key: | TWCHDHNXSMZIRK-UHFFFAOYSA-N |