1,1'-[6-(3,4-dimethoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(butan-1-one)
Chemical Structure Depiction of
1,1'-[6-(3,4-dimethoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(butan-1-one)
1,1'-[6-(3,4-dimethoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(butan-1-one)
Compound characteristics
| Compound ID: | F131-0087 |
| Compound Name: | 1,1'-[6-(3,4-dimethoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(butan-1-one) |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C20 H24 N4 O4 S |
| Smiles: | CCCC(C1=C(c2ccc(c(c2)OC)OC)N(C(CCC)=O)n2cnnc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1659 |
| logD: | 3.1659 |
| logSw: | -3.3911 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.498 |
| InChI Key: | AQJOQKVAHHNMOC-UHFFFAOYSA-N |