2-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-6-oxo-3-phenyl-1,2,4-triazin-1(6H)-yl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-6-oxo-3-phenyl-1,2,4-triazin-1(6H)-yl}-N-(4-methylphenyl)acetamide
2-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-6-oxo-3-phenyl-1,2,4-triazin-1(6H)-yl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | G879-0049 |
| Compound Name: | 2-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-6-oxo-3-phenyl-1,2,4-triazin-1(6H)-yl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 454.48 |
| Molecular Formula: | C26 H22 N4 O4 |
| Smiles: | Cc1ccc(cc1)NC(CN1C(C(Cc2ccc3c(c2)OCO3)=NC(c2ccccc2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2708 |
| logD: | 4.2708 |
| logSw: | -4.3492 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.41 |
| InChI Key: | LKMHSELGHHLIPN-UHFFFAOYSA-N |