3-(2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)propanoic acid
Chemical Structure Depiction of
3-(2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)propanoic acid
3-(2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)propanoic acid
Compound characteristics
| Compound ID: | 2882-0020 |
| Compound Name: | 3-(2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)propanoic acid |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C22 H26 N2 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCCSc1nc2ccccc2n1CCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7683 |
| logD: | 1.9609 |
| logSw: | -4.3874 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.529 |
| InChI Key: | WVOSHCAUYMTUKH-UHFFFAOYSA-N |