3-(4-chlorophenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-(4-chlorophenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
3-(4-chlorophenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | G786-0595 |
| Compound Name: | 3-(4-chlorophenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1) |
| Molecular Weight: | 452.71 |
| Molecular Formula: | C16 H10 Cl N5 O2 S |
| Salt: | HBr |
| Smiles: | C1C(c2cccc(c2)[N+]([O-])=O)=Nn2c(c3ccc(cc3)[Cl])nnc2S1 |
| Stereo: | ACHIRAL |
| logP: | 4.5094 |
| logD: | 4.5094 |
| logSw: | -4.8411 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.34 |
| InChI Key: | KJCRLTSATFYGHE-UHFFFAOYSA-N |