3-methyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-methyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
3-methyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 4790-0016 |
| Compound Name: | 3-methyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1) |
| Molecular Weight: | 356.2 |
| Molecular Formula: | C11 H9 N5 O2 S |
| Salt: | HBr |
| Smiles: | Cc1nnc2n1N=C(CS2)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8839 |
| logD: | 1.8662 |
| logSw: | -2.3113 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.388 |
| InChI Key: | DTSOMYAVZYZUIT-UHFFFAOYSA-N |