3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazole
3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y206-7315 |
| Compound Name: | 3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 331.46 |
| Molecular Formula: | C16 H17 N3 O S2 |
| Smiles: | Cc1cc(cs1)c1nnc(n1C)SCc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9196 |
| logD: | 3.9194 |
| logSw: | -4.1045 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.613 |
| InChI Key: | ZAYVJXFFVKAFJA-UHFFFAOYSA-N |