5-{[3-(difluoromethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]methyl}-2-methoxyphenol
Chemical Structure Depiction of
5-{[3-(difluoromethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]methyl}-2-methoxyphenol
5-{[3-(difluoromethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]methyl}-2-methoxyphenol
Compound characteristics
| Compound ID: | Y502-3011 |
| Compound Name: | 5-{[3-(difluoromethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]methyl}-2-methoxyphenol |
| Molecular Weight: | 338.33 |
| Molecular Formula: | C14 H12 F2 N4 O2 S |
| Smiles: | CC1/C(=C/c2ccc(c(c2)O)OC)Sc2nnc(C(F)F)n2N=1 |
| Stereo: | ACHIRAL |
| logP: | 2.2347 |
| logD: | 2.2285 |
| logSw: | -2.2089 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.778 |
| InChI Key: | VKAJAPYDEVLWSB-UHFFFAOYSA-N |