3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-5851 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 399.56 |
| Molecular Formula: | C25 H25 N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2cccc(C)c2)nnc1SCc1cc(C)ccc1C |
| Stereo: | ACHIRAL |
| logP: | 7.4098 |
| logD: | 7.4098 |
| logSw: | -5.7657 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | QSDBVTOQAOZZDD-UHFFFAOYSA-N |