N-(2H-1,3-benzodioxol-5-yl)-2-[(3-tert-butyl-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)-2-[(3-tert-butyl-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)-2-[(3-tert-butyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G786-2002 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(3-tert-butyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C17 H17 N5 O4 S2 |
| Smiles: | CC(C)(C)C1C(N2C(=NN=1)SC(=N2)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.752 |
| logD: | 3.7514 |
| logSw: | -3.8732 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.781 |
| InChI Key: | BDHRKWKWBVWVRI-UHFFFAOYSA-N |