3-{[(4-bromophenyl)methyl]sulfanyl}-9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole
3-{[(4-bromophenyl)methyl]sulfanyl}-9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole
Compound characteristics
| Compound ID: | 8017-1598 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole |
| Molecular Weight: | 373.27 |
| Molecular Formula: | C16 H13 Br N4 S |
| Smiles: | Cn1c2ccccc2n2c(nnc12)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7225 |
| logD: | 3.7192 |
| logSw: | -3.9331 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.7371 |
| InChI Key: | MCHBSCHQVYXZSN-UHFFFAOYSA-N |