1,1'-{6-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(ethan-1-one)
Compound characteristics
| Compound ID: | G857-1448 |
| Compound Name: | 1,1'-{6-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(ethan-1-one) |
| Molecular Weight: | 472.47 |
| Molecular Formula: | C22 H18 F2 N4 O4 S |
| Smiles: | CC(C1=C(c2ccc(cc2)OC(F)F)N(C(C)=O)n2c(c3ccc(cc3)OC)nnc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4772 |
| logD: | 3.4772 |
| logSw: | -3.6655 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.563 |
| InChI Key: | IFPWMPCQIVZAOD-UHFFFAOYSA-N |