methyl 6-[2-(4-oxo-5-propyl-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-5-propyl-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate
methyl 6-[2-(4-oxo-5-propyl-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | E717-0252 |
| Compound Name: | methyl 6-[2-(4-oxo-5-propyl-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamido]-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 462.46 |
| Molecular Formula: | C24 H22 N4 O6 |
| Smiles: | CCCn1c2C(N(CC(Nc3cc4c(cc3C(=O)OC)OCO4)=O)N=Cc2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2777 |
| logD: | 3.1588 |
| logSw: | -3.3779 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.062 |
| InChI Key: | HSFHKSKHNBMJTM-UHFFFAOYSA-N |