3-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole
3-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-6562 |
| Compound Name: | 3-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C19 H20 F N3 O3 S |
| Smiles: | Cn1c(c2cc(c(c(c2)OC)OC)OC)nnc1SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.0509 |
| logD: | 3.0509 |
| logSw: | -3.1625 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.029 |
| InChI Key: | NIVGFGIIXZLKGZ-UHFFFAOYSA-N |