3-{[(4-bromophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-1950 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 496.42 |
| Molecular Formula: | C24 H22 Br N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2cc(cc(c2)OC)OC)nnc1SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.3364 |
| logD: | 6.3364 |
| logSw: | -5.5541 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.8 |
| InChI Key: | NJEZPWZVRLHTIR-UHFFFAOYSA-N |