3-(4-methylphenyl)-7-(pyridin-3-yl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-(4-methylphenyl)-7-(pyridin-3-yl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-(4-methylphenyl)-7-(pyridin-3-yl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0566 |
| Compound Name: | 3-(4-methylphenyl)-7-(pyridin-3-yl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 321.36 |
| Molecular Formula: | C16 H11 N5 O S |
| Smiles: | Cc1ccc(cc1)C1C(N2C(=NN=1)SC(c1cccnc1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6873 |
| logD: | 2.6856 |
| logSw: | -2.5966 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.343 |
| InChI Key: | BONVWKSYBXVXQL-UHFFFAOYSA-N |