3-methyl-7-{[(3-methylphenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-methyl-7-{[(3-methylphenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-methyl-7-{[(3-methylphenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | G856-3801 |
| Compound Name: | 3-methyl-7-{[(3-methylphenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 304.39 |
| Molecular Formula: | C13 H12 N4 O S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.819 |
| logD: | 3.7795 |
| logSw: | -3.8073 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.689 |
| InChI Key: | BLQALIGCXVHCBE-UHFFFAOYSA-N |