3-methyl-7-[(3-phenylprop-2-en-1-yl)sulfanyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-methyl-7-[(3-phenylprop-2-en-1-yl)sulfanyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-methyl-7-[(3-phenylprop-2-en-1-yl)sulfanyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | G856-3732 |
| Compound Name: | 3-methyl-7-[(3-phenylprop-2-en-1-yl)sulfanyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 316.4 |
| Molecular Formula: | C14 H12 N4 O S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SC/C=C/c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8753 |
| logD: | 3.8726 |
| logSw: | -3.9253 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.689 |
| InChI Key: | JPYYULJLOSZRJK-UHFFFAOYSA-N |