3-[2-(octylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid
Chemical Structure Depiction of
3-[2-(octylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid
3-[2-(octylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid
Compound characteristics
| Compound ID: | 2829-0401 |
| Compound Name: | 3-[2-(octylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid |
| Molecular Weight: | 334.48 |
| Molecular Formula: | C18 H26 N2 O2 S |
| Smiles: | CCCCCCCCSc1nc2ccccc2n1CCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2007 |
| logD: | 2.3933 |
| logSw: | -4.827 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.383 |
| InChI Key: | DYYHLMPYNWVFGB-UHFFFAOYSA-N |