2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]propanoic acid
2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | 8014-1216 |
| Compound Name: | 2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]propanoic acid |
| Molecular Weight: | 276.31 |
| Molecular Formula: | C12 H12 N4 O2 S |
| Smiles: | CC(C(O)=O)Sc1nnc2n(C)c3ccccc3n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1309 |
| logD: | -2.0755 |
| logSw: | -1.9409 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.417 |
| InChI Key: | GAHHAMPYRNHBBX-ZETCQYMHSA-N |