dimethyl 5-[2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzene-1,3-dicarboxylate
dimethyl 5-[2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | E717-0511 |
| Compound Name: | dimethyl 5-[2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]benzene-1,3-dicarboxylate |
| Molecular Weight: | 434.41 |
| Molecular Formula: | C22 H18 N4 O6 |
| Smiles: | COC(c1cc(cc(c1)NC(CN1C(c2c(C=N1)c1ccccc1[nH]2)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7458 |
| logD: | 2.7458 |
| logSw: | -3.2303 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.937 |
| InChI Key: | YJBOUZIKXGAPMJ-UHFFFAOYSA-N |