methyl [(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetate
methyl [(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | G856-3814 |
| Compound Name: | methyl [(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetate |
| Molecular Weight: | 272.3 |
| Molecular Formula: | C8 H8 N4 O3 S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1903 |
| logD: | 1.1641 |
| logSw: | -1.4006 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.54 |
| InChI Key: | KRSJRQUSDVCUMY-UHFFFAOYSA-N |