3-[(9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
3-[(9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]propanoic acid
3-[(9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | 8017-5360 |
| Compound Name: | 3-[(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: | Cn1c2ccccc2n2c(nnc12)SCCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8948 |
| logD: | -1.8008 |
| logSw: | -1.7079 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.393 |
| InChI Key: | RZKTWOXGVVAAKU-UHFFFAOYSA-N |