9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-thiol
Chemical Structure Depiction of
9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-thiol
9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-thiol
Compound characteristics
| Compound ID: | C456-0050 |
| Compound Name: | 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-thiol |
| Molecular Weight: | 280.35 |
| Molecular Formula: | C15 H12 N4 S |
| Smiles: | C(c1ccccc1)n1c2ccccc2n2c(nnc12)S |
| Stereo: | ACHIRAL |
| logP: | 2.8966 |
| logD: | 2.8817 |
| logSw: | -2.9038 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.4007 |
| InChI Key: | FQMBNTVAHPCSBG-UHFFFAOYSA-N |