3-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]sulfanyl}propanoic acid
Chemical Structure Depiction of
3-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]sulfanyl}propanoic acid
3-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | D058-0211 |
| Compound Name: | 3-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]sulfanyl}propanoic acid |
| Molecular Weight: | 264.34 |
| Molecular Formula: | C13 H16 N2 O2 S |
| Smiles: | CC(C)n1c2ccccc2nc1SCCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5526 |
| logD: | -0.1431 |
| logSw: | -2.526 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.48 |
| InChI Key: | JUTALSFGQMPUPH-UHFFFAOYSA-N |