3-tert-butyl-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-tert-butyl-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
3-tert-butyl-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Compound characteristics
Compound ID: | 8013-4004 |
Compound Name: | 3-tert-butyl-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1) |
Molecular Weight: | 383.31 |
Molecular Formula: | C15 H18 N4 O S |
Salt: | HBr |
Smiles: | CC(C)(C)c1nnc2n1N=C(CS2)c1ccc(cc1)OC |
Stereo: | ACHIRAL |
logP: | 3.633 |
logD: | 3.6241 |
logSw: | -3.8354 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 41.773 |
InChI Key: | PXJFYPQXRVCZIH-UHFFFAOYSA-N |