3-(3,4-dichlorophenyl)-6-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-(3,4-dichlorophenyl)-6-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
3-(3,4-dichlorophenyl)-6-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | K243-0317 |
| Compound Name: | 3-(3,4-dichlorophenyl)-6-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1) |
| Molecular Weight: | 510.16 |
| Molecular Formula: | C17 H9 Cl2 F3 N4 S |
| Salt: | HBr |
| Smiles: | C1C(c2cccc(c2)C(F)(F)F)=Nn2c(c3ccc(c(c3)[Cl])[Cl])nnc2S1 |
| Stereo: | ACHIRAL |
| logP: | 6.0546 |
| logD: | 6.0535 |
| logSw: | -6.6668 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.958 |
| InChI Key: | ASNULERVRBGYOG-UHFFFAOYSA-N |