3-butyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-butyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
3-butyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8013-0010 |
| Compound Name: | 3-butyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1) |
| Molecular Weight: | 398.28 |
| Molecular Formula: | C14 H15 N5 O2 S |
| Salt: | HBr |
| Smiles: | CCCCc1nnc2n1N=C(CS2)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4507 |
| logD: | 3.4478 |
| logSw: | -3.7517 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.587 |
| InChI Key: | NPRGUJLAFIVMJD-UHFFFAOYSA-N |