3-(4-tert-butylphenyl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(4-tert-butylphenyl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-(4-tert-butylphenyl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8012-4166 |
| Compound Name: | 3-(4-tert-butylphenyl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 434 |
| Molecular Formula: | C25 H24 Cl N3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.7213 |
| logD: | 7.7213 |
| logSw: | -6.6361 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | YIIMSBPIZSKDET-UHFFFAOYSA-N |