3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazole
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V008-9958 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 415.56 |
| Molecular Formula: | C25 H25 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(CSc2nnc(c3ccccc3C)n2c2ccc(cc2)OC)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.6829 |
| logD: | 6.6828 |
| logSw: | -5.8155 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.256 |
| InChI Key: | QUVZYOKVAYEWBB-UHFFFAOYSA-N |