3-{[(4-bromophenyl)methyl]sulfanyl}-9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a]benzimidazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a]benzimidazole
3-{[(4-bromophenyl)methyl]sulfanyl}-9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a]benzimidazole
Compound characteristics
Compound ID: | C456-0064 |
Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a]benzimidazole |
Molecular Weight: | 479.4 |
Molecular Formula: | C23 H19 Br N4 O S |
Smiles: | C(COc1ccccc1)n1c2ccccc2n2c(nnc12)SCc1ccc(cc1)[Br] |
Stereo: | ACHIRAL |
logP: | 5.7399 |
logD: | 5.7394 |
logSw: | -5.9092 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 32.052 |
InChI Key: | KCUMYBDZDZQKDV-UHFFFAOYSA-N |