3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V029-6764 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 415.56 |
| Molecular Formula: | C25 H25 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2ccc(cc2)OC)nnc1SCc1cc(C)ccc1C |
| Stereo: | ACHIRAL |
| logP: | 7.0229 |
| logD: | 7.0229 |
| logSw: | -5.6898 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.256 |
| InChI Key: | IISKHBYOGLVPIU-UHFFFAOYSA-N |