ethyl 3-[(1H-benzimidazol-2-yl)sulfanyl]-5,5-dimethyl-2-oxooxolane-3-carboxylate
Chemical Structure Depiction of
ethyl 3-[(1H-benzimidazol-2-yl)sulfanyl]-5,5-dimethyl-2-oxooxolane-3-carboxylate
ethyl 3-[(1H-benzimidazol-2-yl)sulfanyl]-5,5-dimethyl-2-oxooxolane-3-carboxylate
Compound characteristics
| Compound ID: | 8016-0086 |
| Compound Name: | ethyl 3-[(1H-benzimidazol-2-yl)sulfanyl]-5,5-dimethyl-2-oxooxolane-3-carboxylate |
| Molecular Weight: | 334.39 |
| Molecular Formula: | C16 H18 N2 O4 S |
| Smiles: | CCOC(C1(CC(C)(C)OC1=O)Sc1nc2ccccc2[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0306 |
| logD: | 2.9881 |
| logSw: | -3.2216 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.541 |
| InChI Key: | HYLOPWISEZEFQQ-INIZCTEOSA-N |