3-[2-({2-[4-methyl-2-(propan-2-yl)phenoxy]ethyl}sulfanyl)-1H-benzimidazol-1-yl]propane-1,2-diol
Chemical Structure Depiction of
3-[2-({2-[4-methyl-2-(propan-2-yl)phenoxy]ethyl}sulfanyl)-1H-benzimidazol-1-yl]propane-1,2-diol
3-[2-({2-[4-methyl-2-(propan-2-yl)phenoxy]ethyl}sulfanyl)-1H-benzimidazol-1-yl]propane-1,2-diol
Compound characteristics
| Compound ID: | 2001-0102 |
| Compound Name: | 3-[2-({2-[4-methyl-2-(propan-2-yl)phenoxy]ethyl}sulfanyl)-1H-benzimidazol-1-yl]propane-1,2-diol |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C22 H28 N2 O3 S |
| Smiles: | CC(C)c1cc(C)ccc1OCCSc1nc2ccccc2n1CC(CO)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5683 |
| logD: | 4.5683 |
| logSw: | -4.4689 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.988 |
| InChI Key: | KLRHXSMUAIHGPJ-KRWDZBQOSA-N |