N-(2H-1,3-benzodioxol-5-yl)-2-(6-methyl-5-oxo-3-sulfanyl-1,2,4-triazin-4(5H)-yl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(6-methyl-5-oxo-3-sulfanyl-1,2,4-triazin-4(5H)-yl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(6-methyl-5-oxo-3-sulfanyl-1,2,4-triazin-4(5H)-yl)acetamide
Compound characteristics
| Compound ID: | 8016-9408 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(6-methyl-5-oxo-3-sulfanyl-1,2,4-triazin-4(5H)-yl)acetamide |
| Molecular Weight: | 320.32 |
| Molecular Formula: | C13 H12 N4 O4 S |
| Smiles: | CC1C(N(CC(Nc2ccc3c(c2)OCO3)=O)C(=NN=1)S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5635 |
| logD: | -1.8854 |
| logSw: | -2.2734 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.553 |
| InChI Key: | URPSZNUOUKZVTN-UHFFFAOYSA-N |