7-[(4-bromo-1-ethyl-1H-pyrazol-5-yl)methylidene]-3-(difluoromethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Chemical Structure Depiction of
7-[(4-bromo-1-ethyl-1H-pyrazol-5-yl)methylidene]-3-(difluoromethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
7-[(4-bromo-1-ethyl-1H-pyrazol-5-yl)methylidene]-3-(difluoromethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Compound characteristics
| Compound ID: | Y500-8876 |
| Compound Name: | 7-[(4-bromo-1-ethyl-1H-pyrazol-5-yl)methylidene]-3-(difluoromethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
| Molecular Weight: | 451.29 |
| Molecular Formula: | C17 H13 Br F2 N6 S |
| Smiles: | CCn1c(/C=C2/C(c3ccccc3)=Nn3c(C(F)F)nnc3S2)c(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.8129 |
| logD: | 3.8109 |
| logSw: | -3.8364 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.591 |
| InChI Key: | YZMKZDCCMXRDEJ-UHFFFAOYSA-N |