7-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0563 |
| Compound Name: | 7-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 364.38 |
| Molecular Formula: | C18 H12 N4 O3 S |
| Smiles: | Cc1ccc(cc1)C1C(N2C(=NN=1)SC(c1ccc3c(c1)OCO3)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9149 |
| logD: | 3.9107 |
| logSw: | -3.9439 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.94 |
| InChI Key: | LZVFCNXJYCQLMY-UHFFFAOYSA-N |