3-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y206-9268 |
| Compound Name: | 3-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 339.43 |
| Molecular Formula: | C19 H18 F N3 S |
| Smiles: | Cc1ccccc1c1nnc(n1CC=C)SCc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 4.8488 |
| logD: | 4.8488 |
| logSw: | -4.7643 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.2191 |
| InChI Key: | LEFRQBNSZCULSU-UHFFFAOYSA-N |