3-tert-butyl-7-({2-[2-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-tert-butyl-7-({2-[2-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-tert-butyl-7-({2-[2-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | 8014-5854 |
| Compound Name: | 3-tert-butyl-7-({2-[2-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 426.46 |
| Molecular Formula: | C17 H16 F2 N4 O3 S2 |
| Smiles: | [H]C(Oc1ccccc1C(CSC1=NN2C(=NN=C(C2=O)C(C)(C)C)S1)=O)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.3642 |
| logD: | 4.3485 |
| logSw: | -4.542 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.455 |
| InChI Key: | CGYHMABPARAECB-UHFFFAOYSA-N |