1,1'-{6-[4-(difluoromethoxy)phenyl]-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(ethan-1-one)
Chemical Structure Depiction of
1,1'-{6-[4-(difluoromethoxy)phenyl]-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(ethan-1-one)
1,1'-{6-[4-(difluoromethoxy)phenyl]-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(ethan-1-one)
Compound characteristics
| Compound ID: | G857-1430F |
| Compound Name: | 1,1'-{6-[4-(difluoromethoxy)phenyl]-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(ethan-1-one) |
| Molecular Weight: | 442.44 |
| Molecular Formula: | C21 H16 F2 N4 O3 S |
| Smiles: | CC(C1=C(c2ccc(cc2)OC(F)F)N(C(C)=O)n2c(c3ccccc3)nnc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3898 |
| logD: | 3.3898 |
| logSw: | -3.6558 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.02 |
| InChI Key: | KWNRPEZFWKHVTI-UHFFFAOYSA-N |