3-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
3-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | G786-0612 |
| Compound Name: | 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1) |
| Molecular Weight: | 475.41 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Salt: | HBr |
| Smiles: | CCc1ccc(cc1)C1CSc2nnc(Cc3ccc(c(c3)OC)OC)n2N=1 |
| Stereo: | ACHIRAL |
| logP: | 4.1767 |
| logD: | 4.0734 |
| logSw: | -4.3321 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.195 |
| InChI Key: | BODWYAKJNNCFJJ-UHFFFAOYSA-N |