2-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one
2-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D347-0111 |
| Compound Name: | 2-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Smiles: | Cc1ccccc1OCCSc1nc2ccccc2n1CC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4015 |
| logD: | 4.3953 |
| logSw: | -4.3191 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.74 |
| InChI Key: | YGSWOJUVWPNFJS-UHFFFAOYSA-N |