methyl 6-[2-([1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-[2-([1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate
methyl 6-[2-([1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C734-0626 |
| Compound Name: | methyl 6-[2-([1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 407.38 |
| Molecular Formula: | C21 H17 N3 O6 |
| Smiles: | COC(c1cc2c(cc1NC(Cn1c3c(COc4ccccc34)cn1)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4565 |
| logD: | 2.212 |
| logSw: | -2.9551 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.647 |
| InChI Key: | IMAIETUOSFQREC-UHFFFAOYSA-N |