6-(4-bromophenyl)-3-butyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Chemical Structure Depiction of
6-(4-bromophenyl)-3-butyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
6-(4-bromophenyl)-3-butyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8012-7287 |
| Compound Name: | 6-(4-bromophenyl)-3-butyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1) |
| Molecular Weight: | 432.18 |
| Molecular Formula: | C14 H15 Br N4 S |
| Salt: | HBr |
| Smiles: | CCCCc1nnc2n1N=C(CS2)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3589 |
| logD: | 4.3566 |
| logSw: | -4.2199 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.206 |
| InChI Key: | ISOISMCIIXPRBJ-UHFFFAOYSA-N |