methyl 6-[2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-[2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate
methyl 6-[2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | E717-0539 |
| Compound Name: | methyl 6-[2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 420.38 |
| Molecular Formula: | C21 H16 N4 O6 |
| Smiles: | COC(c1cc2c(cc1NC(CN1C(c3c(C=N1)c1ccccc1[nH]3)=O)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9695 |
| logD: | 1.8505 |
| logSw: | -3.027 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.181 |
| InChI Key: | HVDFGHGCCSYPRS-UHFFFAOYSA-N |