N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | C880-0670 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide |
| Molecular Weight: | 466.5 |
| Molecular Formula: | C27 H22 N4 O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(c2c(C=N1)c1ccccc1n2Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7627 |
| logD: | 3.7627 |
| logSw: | -4.2135 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.659 |
| InChI Key: | PTDHRWAHTPKWAL-UHFFFAOYSA-N |