7-(1-benzofuran-2-yl)-3-(4-methylphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-(1-benzofuran-2-yl)-3-(4-methylphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-(1-benzofuran-2-yl)-3-(4-methylphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0562 |
| Compound Name: | 7-(1-benzofuran-2-yl)-3-(4-methylphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C19 H12 N4 O2 S |
| Smiles: | Cc1ccc(cc1)C1C(N2C(=NN=1)SC(c1cc3ccccc3o1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8036 |
| logD: | 4.8013 |
| logSw: | -5.2579 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.118 |
| InChI Key: | DHGUWJOCVWRTFV-UHFFFAOYSA-N |