3-{[(2,4-difluorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,4-difluorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(2,4-difluorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V001-4843 |
| Compound Name: | 3-{[(2,4-difluorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 361.39 |
| Molecular Formula: | C18 H14 F3 N3 S |
| Smiles: | C=CCn1c(c2ccccc2F)nnc1SCc1ccc(cc1F)F |
| Stereo: | ACHIRAL |
| logP: | 4.7414 |
| logD: | 4.7414 |
| logSw: | -4.9054 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.2191 |
| InChI Key: | XLEATCLETWNRKP-UHFFFAOYSA-N |