diethyl 3-amino-1-(2H-1,3-benzodioxol-5-yl)-1H-pyrrole-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-amino-1-(2H-1,3-benzodioxol-5-yl)-1H-pyrrole-2,4-dicarboxylate
diethyl 3-amino-1-(2H-1,3-benzodioxol-5-yl)-1H-pyrrole-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 8020-5726 |
| Compound Name: | diethyl 3-amino-1-(2H-1,3-benzodioxol-5-yl)-1H-pyrrole-2,4-dicarboxylate |
| Molecular Weight: | 346.34 |
| Molecular Formula: | C17 H18 N2 O6 |
| Smiles: | CCOC(c1cn(c2ccc3c(c2)OCO3)c(C(=O)OCC)c1N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.839 |
| logD: | 2.839 |
| logSw: | -3.1687 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.965 |
| InChI Key: | WLUUYWRNLFFUDP-UHFFFAOYSA-N |