methyl 5-{[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]methyl}furan-2-carboxylate
methyl 5-{[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | G856-3807 |
| Compound Name: | methyl 5-{[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]methyl}furan-2-carboxylate |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C12 H10 N4 O4 S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCc1ccc(C(=O)OC)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6297 |
| logD: | 2.5581 |
| logSw: | -2.681 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.704 |
| InChI Key: | YAHWDXVFJZHLLX-UHFFFAOYSA-N |