3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8012-4170 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 478.45 |
| Molecular Formula: | C25 H24 Br N3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.6189 |
| logD: | 7.6189 |
| logSw: | -6.0113 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | DGXWNFBFBVRNPA-UHFFFAOYSA-N |