3-benzyl-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole
3-benzyl-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V006-8584 |
| Compound Name: | 3-benzyl-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 415.56 |
| Molecular Formula: | C25 H25 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2c2ccccc2OC)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.0269 |
| logD: | 6.0267 |
| logSw: | -5.5549 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.018 |
| InChI Key: | LOILYNLSEZOPMC-UHFFFAOYSA-N |