3-(4-methylphenyl)-7-(thiophen-2-yl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-(4-methylphenyl)-7-(thiophen-2-yl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-(4-methylphenyl)-7-(thiophen-2-yl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0561 |
| Compound Name: | 3-(4-methylphenyl)-7-(thiophen-2-yl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 326.4 |
| Molecular Formula: | C15 H10 N4 O S2 |
| Smiles: | Cc1ccc(cc1)C1C(N2C(=NN=1)SC(c1cccs1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8552 |
| logD: | 3.8551 |
| logSw: | -3.9141 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.843 |
| InChI Key: | GBIQPRJGMPYYNW-UHFFFAOYSA-N |