3-butyl-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-butyl-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
3-butyl-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8012-9968 |
| Compound Name: | 3-butyl-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1) |
| Molecular Weight: | 387.73 |
| Molecular Formula: | C14 H15 Cl N4 S |
| Salt: | HBr |
| Smiles: | CCCCc1nnc2n1N=C(CS2)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1197 |
| logD: | 4.1171 |
| logSw: | -4.5243 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.206 |
| InChI Key: | MSJWYZQCPMCPAS-UHFFFAOYSA-N |