N-[(2,5-dimethoxyphenyl)methyl]-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
N-[(2,5-dimethoxyphenyl)methyl]-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Compound characteristics
| Compound ID: | C434-0220 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide |
| Molecular Weight: | 393.4 |
| Molecular Formula: | C21 H19 N3 O5 |
| Smiles: | COc1ccc(c(CNC(Cn2c3c4ccccc4OC(c3cn2)=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5854 |
| logD: | 2.5854 |
| logSw: | -3.2101 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.104 |
| InChI Key: | AQQLNCAEZIRHEL-UHFFFAOYSA-N |