3-(4-tert-butylphenyl)-6-(4-methylphenyl)-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-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
3-(4-tert-butylphenyl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8014-4572 |
| Compound Name: | 3-(4-tert-butylphenyl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1) |
| Molecular Weight: | 443.41 |
| Molecular Formula: | C21 H22 N4 S |
| Salt: | HBr |
| Smiles: | Cc1ccc(cc1)C1CSc2nnc(c3ccc(cc3)C(C)(C)C)n2N=1 |
| Stereo: | ACHIRAL |
| logP: | 6.2125 |
| logD: | 6.2052 |
| logSw: | -5.7498 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.958 |
| InChI Key: | ZFPBYFXANNSJJO-UHFFFAOYSA-N |