7-(3,4-dimethoxyphenyl)-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-(3,4-dimethoxyphenyl)-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-(3,4-dimethoxyphenyl)-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0300 |
| Compound Name: | 7-(3,4-dimethoxyphenyl)-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 304.32 |
| Molecular Formula: | C13 H12 N4 O3 S |
| Smiles: | CC1C(N2C(=NN=1)SC(c1ccc(c(c1)OC)OC)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7672 |
| logD: | 1.7165 |
| logSw: | -2.3968 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.531 |
| InChI Key: | PWBXKBASYWRTKG-UHFFFAOYSA-N |