3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V013-7757 |
| Compound Name: | 3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 373.42 |
| Molecular Formula: | C19 H17 F2 N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc(n1CC=C)SCc1cc(cc(c1)F)F |
| Stereo: | ACHIRAL |
| logP: | 5.0334 |
| logD: | 5.0334 |
| logSw: | -4.7619 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.763 |
| InChI Key: | CVEQIQLSSVHKCV-UHFFFAOYSA-N |