ethyl 5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-oxo-3-pentyloxolane-3-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-oxo-3-pentyloxolane-3-carboxylate--hydrogen chloride (1/1)
ethyl 5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-oxo-3-pentyloxolane-3-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8011-8999 |
| Compound Name: | ethyl 5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-oxo-3-pentyloxolane-3-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 426.96 |
| Molecular Formula: | C20 H26 N2 O4 S |
| Salt: | HCl |
| Smiles: | CCCCCC1(CC(CSc2nc3ccccc3[nH]2)OC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.579 |
| logD: | 4.5785 |
| logSw: | -4.2747 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.438 |
| InChI Key: | KQAODIXDPVCETE-UHFFFAOYSA-N |