3-methyl-7-[(2-methylphenoxy)methyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-methyl-7-[(2-methylphenoxy)methyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-methyl-7-[(2-methylphenoxy)methyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0315 |
| Compound Name: | 3-methyl-7-[(2-methylphenoxy)methyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 288.33 |
| Molecular Formula: | C13 H12 N4 O2 S |
| Smiles: | CC1C(N2C(=NN=1)SC(COc1ccccc1C)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6912 |
| logD: | 2.5033 |
| logSw: | -2.811 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.759 |
| InChI Key: | UZPWTPOEFJVBPE-UHFFFAOYSA-N |