N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide
Compound characteristics
| Compound ID: | C884-2401 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C22 H20 N4 O4 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)Cn1c2C(NN=Cc2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5679 |
| logD: | 2.5677 |
| logSw: | -3.0645 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.647 |
| InChI Key: | MCVONHAOLGUATI-UHFFFAOYSA-N |