3-{[3-(difluoromethyl)-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]methyl}phenol
Chemical Structure Depiction of
3-{[3-(difluoromethyl)-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]methyl}phenol
3-{[3-(difluoromethyl)-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]methyl}phenol
Compound characteristics
| Compound ID: | Y502-3773 |
| Compound Name: | 3-{[3-(difluoromethyl)-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]methyl}phenol |
| Molecular Weight: | 406.36 |
| Molecular Formula: | C18 H10 F4 N4 O S |
| Smiles: | C(=C1/C(c2ccc(cc2F)F)=Nn2c(C(F)F)nnc2S1)\c1cccc(c1)O |
| Stereo: | ACHIRAL |
| logP: | 3.9543 |
| logD: | 3.9512 |
| logSw: | -4.0336 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.772 |
| InChI Key: | XZTLWKQPUHASJH-UHFFFAOYSA-N |