3-{[(4-bromophenyl)methyl]sulfanyl}-5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8012-3424 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 482.4 |
| Molecular Formula: | C23 H20 Br N3 O2 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.4469 |
| logD: | 5.4469 |
| logSw: | -5.5836 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.973 |
| InChI Key: | FIMROYJEPULGHA-UHFFFAOYSA-N |