3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-2371 |
| Compound Name: | 3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 353.48 |
| Molecular Formula: | C20 H23 N3 O S |
| Smiles: | Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9181 |
| logD: | 4.9181 |
| logSw: | -4.6786 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.526 |
| InChI Key: | ROSASQFWGMCJEN-UHFFFAOYSA-N |