3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-9-ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole
Chemical Structure Depiction of
3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-9-ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole
3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-9-ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole
Compound characteristics
| Compound ID: | 8017-1591 |
| Compound Name: | 3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-9-ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole |
| Molecular Weight: | 348.43 |
| Molecular Formula: | C18 H16 N6 S |
| Smiles: | CCn1c2ccccc2n2c(nnc12)SCc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.6331 |
| logD: | 3.5282 |
| logSw: | -3.8209 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.933 |
| InChI Key: | CYGAGVMFXZCEMU-UHFFFAOYSA-N |