9-benzyl-3-[(2-phenoxyethyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole
Chemical Structure Depiction of
9-benzyl-3-[(2-phenoxyethyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole
9-benzyl-3-[(2-phenoxyethyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole
Compound characteristics
Compound ID: | C456-0057 |
Compound Name: | 9-benzyl-3-[(2-phenoxyethyl)sulfanyl]-9H-[1,2,4]triazolo[4,3-a]benzimidazole |
Molecular Weight: | 400.5 |
Molecular Formula: | C23 H20 N4 O S |
Smiles: | C(c1ccccc1)n1c2ccccc2n2c(nnc12)SCCOc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.8165 |
logD: | 4.7719 |
logSw: | -4.8518 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 32.073 |
InChI Key: | ZRYKNRMLFBBDGW-UHFFFAOYSA-N |