9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid
Chemical Structure Depiction of
9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid
9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid
Compound characteristics
| Compound ID: | D058-0226 |
| Compound Name: | 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid |
| Molecular Weight: | 328.35 |
| Molecular Formula: | C15 H12 N4 O3 S |
| Smiles: | C(c1ccccc1)n1c2ccccc2n2c(nnc12)S(O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1399 |
| logD: | -13.5145 |
| logSw: | -1.9103 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.712 |
| InChI Key: | QGGOKUDLQZQDFI-UHFFFAOYSA-N |