3-{[(4-bromophenyl)methyl]sulfanyl}-9H-[1,2,4]triazolo[4,3-a]benzimidazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-9H-[1,2,4]triazolo[4,3-a]benzimidazole
3-{[(4-bromophenyl)methyl]sulfanyl}-9H-[1,2,4]triazolo[4,3-a]benzimidazole
Compound characteristics
| Compound ID: | C456-0030 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-9H-[1,2,4]triazolo[4,3-a]benzimidazole |
| Molecular Weight: | 359.24 |
| Molecular Formula: | C15 H11 Br N4 S |
| Smiles: | C(c1ccc(cc1)[Br])Sc1nnc2[nH]c3ccccc3n12 |
| Stereo: | ACHIRAL |
| logP: | 3.6793 |
| logD: | 3.6791 |
| logSw: | -4.1315 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.131 |
| InChI Key: | ZGIFKTXAHDQYRR-UHFFFAOYSA-N |