3-[(2-phenoxyethyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole
Chemical Structure Depiction of
3-[(2-phenoxyethyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole
3-[(2-phenoxyethyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole
Compound characteristics
| Compound ID: | C456-0031 |
| Compound Name: | 3-[(2-phenoxyethyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole |
| Molecular Weight: | 310.38 |
| Molecular Formula: | C16 H14 N4 O S |
| Smiles: | C(CSc1nnc2[nH]c3ccccc3n12)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9696 |
| logD: | 2.9684 |
| logSw: | -3.2208 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.548 |
| InChI Key: | ASHABBIKJHWPON-UHFFFAOYSA-N |