N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
Compound characteristics
| Compound ID: | E016-0114 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide |
| Molecular Weight: | 433.42 |
| Molecular Formula: | C22 H19 N5 O5 |
| Smiles: | COc1ccc(cc1)c1cc2C(N(CC(NCc3ccc4c(c3)OCO4)=O)N=Cn2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9851 |
| logD: | 1.9851 |
| logSw: | -2.7661 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.276 |
| InChI Key: | DQACCNHXVZUAIZ-UHFFFAOYSA-N |