3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-4994 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 454.36 |
| Molecular Formula: | C22 H17 Br F N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccc(cc2)F)nnc1SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.3341 |
| logD: | 6.3341 |
| logSw: | -5.836 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.4116 |
| InChI Key: | QXLPHMAIGHEVHK-UHFFFAOYSA-N |