dimethyl 5-[2-([1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[2-([1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]benzene-1,3-dicarboxylate
dimethyl 5-[2-([1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C734-0569 |
| Compound Name: | dimethyl 5-[2-([1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]benzene-1,3-dicarboxylate |
| Molecular Weight: | 421.41 |
| Molecular Formula: | C22 H19 N3 O6 |
| Smiles: | COC(c1cc(cc(c1)NC(Cn1c2c(COc3ccccc23)cn1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2328 |
| logD: | 3.2328 |
| logSw: | -3.4177 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.404 |
| InChI Key: | MVWGJBZECQSDEI-UHFFFAOYSA-N |