3-(4-fluorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(4-fluorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(4-fluorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V016-7024 |
| Compound Name: | 3-(4-fluorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 339.43 |
| Molecular Formula: | C19 H18 F N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1CSc1nnc(c2ccc(cc2)F)n1CC=C |
| Stereo: | ACHIRAL |
| logP: | 5.4725 |
| logD: | 5.4725 |
| logSw: | -5.7015 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.2191 |
| InChI Key: | XITTWAAMZJNDEV-UHFFFAOYSA-N |