6-(4-nitrophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Chemical Structure Depiction of
6-(4-nitrophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
6-(4-nitrophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 4593-0414 |
| Compound Name: | 6-(4-nitrophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1) |
| Molecular Weight: | 384.25 |
| Molecular Formula: | C13 H13 N5 O2 S |
| Salt: | HBr |
| Smiles: | CCCc1nnc2n1N=C(CS2)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0615 |
| logD: | 3.0546 |
| logSw: | -3.3445 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.587 |
| InChI Key: | USFUDUTYKQBIQO-UHFFFAOYSA-N |