N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2(3H)-yl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | D579-0022 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2(3H)-yl)acetamide |
| Molecular Weight: | 350.33 |
| Molecular Formula: | C18 H14 N4 O4 |
| Smiles: | C(C(Nc1ccc2c(c1)OCO2)=O)N1C(N=C(C=N1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3474 |
| logD: | 2.3456 |
| logSw: | -3.104 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.326 |
| InChI Key: | VQQPWOKBABYMPW-UHFFFAOYSA-N |