2-[(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
2-[(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]propanoic acid
2-[(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | 5716-0026 |
| Compound Name: | 2-[(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]propanoic acid |
| Molecular Weight: | 262.29 |
| Molecular Formula: | C11 H10 N4 O2 S |
| Smiles: | CC(C(O)=O)Sc1nnc2[nH]c3ccccc3n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0877 |
| logD: | -2.1187 |
| logSw: | -2.0361 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.81 |
| InChI Key: | AQXOMXLPRDVPIC-LURJTMIESA-N |