2-[2-(pentylsulfanyl)-1H-benzimidazole-1-carbonyl]benzoic acid
Chemical Structure Depiction of
2-[2-(pentylsulfanyl)-1H-benzimidazole-1-carbonyl]benzoic acid
2-[2-(pentylsulfanyl)-1H-benzimidazole-1-carbonyl]benzoic acid
Compound characteristics
| Compound ID: | 3361-0159 |
| Compound Name: | 2-[2-(pentylsulfanyl)-1H-benzimidazole-1-carbonyl]benzoic acid |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C20 H20 N2 O3 S |
| Smiles: | CCCCCSc1nc2ccccc2n1C(c1ccccc1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8782 |
| logD: | -0.9025 |
| logSw: | -4.4528 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.096 |
| InChI Key: | UFRCNEUWFIMYHS-UHFFFAOYSA-N |