3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-[4-(2-methylpropoxy)phenyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-[4-(2-methylpropoxy)phenyl]-4H-1,2,4-triazole
3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-[4-(2-methylpropoxy)phenyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y206-7314 |
| Compound Name: | 3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-[4-(2-methylpropoxy)phenyl]-4H-1,2,4-triazole |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | CC(C)COc1ccc(cc1)c1nnc(n1C)SCc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.1546 |
| logD: | 5.1546 |
| logSw: | -5.1323 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.094 |
| InChI Key: | QZWGGPOFIVSCEL-UHFFFAOYSA-N |