methyl 6-[2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-[2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate
methyl 6-[2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C762-0291 |
| Compound Name: | methyl 6-[2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 421.41 |
| Molecular Formula: | C22 H19 N3 O6 |
| Smiles: | Cc1ccc2c(c1)c1c(CO2)cnn1CC(Nc1cc2c(cc1C(=O)OC)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8814 |
| logD: | 2.6369 |
| logSw: | -3.0604 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.647 |
| InChI Key: | VDXVTFIBLCLGGJ-UHFFFAOYSA-N |