3-methyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-methyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-methyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V008-7073 |
| Compound Name: | 3-methyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 295.4 |
| Molecular Formula: | C17 H17 N3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(CSc2nnc(C)n2c2ccccc2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7657 |
| logD: | 3.7657 |
| logSw: | -3.8785 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.7611 |
| InChI Key: | QIOWKXIJRPFGFS-UHFFFAOYSA-N |