3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a]benzimidazole
Chemical Structure Depiction of
3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a]benzimidazole
3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a]benzimidazole
Compound characteristics
| Compound ID: | 6386-0009 |
| Compound Name: | 3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a]benzimidazole |
| Molecular Weight: | 440.53 |
| Molecular Formula: | C24 H20 N6 O S |
| Smiles: | C(COc1ccccc1)n1c2ccccc2n2c(nnc12)SCc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 5.0109 |
| logD: | 4.989 |
| logSw: | -4.8422 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.333 |
| InChI Key: | VNCDNCUTTSMOOC-UHFFFAOYSA-N |