3-({1-[2-(3-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}sulfanyl)propanoic acid
Chemical Structure Depiction of
3-({1-[2-(3-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}sulfanyl)propanoic acid
3-({1-[2-(3-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}sulfanyl)propanoic acid
Compound characteristics
| Compound ID: | D058-0255 |
| Compound Name: | 3-({1-[2-(3-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}sulfanyl)propanoic acid |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C19 H20 N2 O3 S |
| Smiles: | Cc1cccc(c1)OCCn1c2ccccc2nc1SCCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2598 |
| logD: | 1.5641 |
| logSw: | -4.2026 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.529 |
| InChI Key: | ZWORVFKSQCRWEW-UHFFFAOYSA-N |