7-(2H-1,3-benzodioxol-5-yl)-3-phenyl-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-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-(2H-1,3-benzodioxol-5-yl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0284 |
| Compound Name: | 7-(2H-1,3-benzodioxol-5-yl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 350.35 |
| Molecular Formula: | C17 H10 N4 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)C1=NN2C(=NN=C(C2=O)c2ccccc2)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.3864 |
| logD: | 3.3822 |
| logSw: | -3.7184 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.94 |
| InChI Key: | MMARIGKJOGEYBN-UHFFFAOYSA-N |