3-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
3-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | K243-0316 |
| Compound Name: | 3-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1) |
| Molecular Weight: | 497.38 |
| Molecular Formula: | C21 H19 F3 N4 S |
| Salt: | HBr |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc2n1N=C(CS2)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.5668 |
| logD: | 6.5647 |
| logSw: | -6.117 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.958 |
| InChI Key: | WHQHVUMQYAKSCP-UHFFFAOYSA-N |