3-methyl-7-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-methyl-7-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-methyl-7-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | G856-3739 |
| Compound Name: | 3-methyl-7-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 339.44 |
| Molecular Formula: | C13 H17 N5 O2 S2 |
| Smiles: | CC1CCN(CC1)C(CSC1=NN2C(=NN=C(C)C2=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1635 |
| logD: | 1.9024 |
| logSw: | -2.001 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.082 |
| InChI Key: | MXFYTQJKMOEICL-UHFFFAOYSA-N |