methyl 2-[2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]benzoate
methyl 2-[2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C434-0052 |
| Compound Name: | methyl 2-[2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]benzoate |
| Molecular Weight: | 377.35 |
| Molecular Formula: | C20 H15 N3 O5 |
| Smiles: | COC(c1ccccc1NC(Cn1c2c3ccccc3OC(c2cn1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5321 |
| logD: | 2.5191 |
| logSw: | -2.9722 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.084 |
| InChI Key: | JEYCQKSWNHVUNO-UHFFFAOYSA-N |