3-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazole
3-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y206-7271 |
| Compound Name: | 3-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 313.39 |
| Molecular Formula: | C17 H16 F N3 S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1C)SCc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 4.3625 |
| logD: | 4.3625 |
| logSw: | -4.3628 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.0508 |
| InChI Key: | QNGYJEFUWAHOSH-UHFFFAOYSA-N |