3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V001-4796 |
| Compound Name: | 3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 403.45 |
| Molecular Formula: | C20 H19 F2 N3 O2 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1CC=C)SCc1c(cccc1F)F |
| Stereo: | ACHIRAL |
| logP: | 4.8262 |
| logD: | 4.8262 |
| logSw: | -4.7543 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.307 |
| InChI Key: | IZOWXBDATBVVDN-UHFFFAOYSA-N |