3-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-(propan-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-(propan-2-yl)-4H-1,2,4-triazole
3-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-(propan-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y206-0754 |
| Compound Name: | 3-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-(propan-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 265.35 |
| Molecular Formula: | C13 H16 F N3 S |
| Smiles: | CC(C)c1nnc(n1C)SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.7288 |
| logD: | 2.7283 |
| logSw: | -2.8358 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.3223 |
| InChI Key: | DKBRSWTYFWSMKD-UHFFFAOYSA-N |