ethyl 5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-3-ethyl-2-oxooxolane-3-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-3-ethyl-2-oxooxolane-3-carboxylate--hydrogen chloride (1/1)
ethyl 5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-3-ethyl-2-oxooxolane-3-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8011-7222 |
| Compound Name: | ethyl 5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-3-ethyl-2-oxooxolane-3-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 384.88 |
| Molecular Formula: | C17 H20 N2 O4 S |
| Salt: | HCl |
| Smiles: | CCC1(CC(CSc2nc3ccccc3[nH]2)OC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0334 |
| logD: | 3.0329 |
| logSw: | -3.1069 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.438 |
| InChI Key: | MAXUMEIVVUHYLR-UHFFFAOYSA-N |