N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-3783 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide |
| Molecular Weight: | 391.42 |
| Molecular Formula: | C15 H13 N5 O4 S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1647 |
| logD: | 2.0935 |
| logSw: | -2.7891 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.276 |
| InChI Key: | HQMWBVBQNFUQPH-UHFFFAOYSA-N |