N-(2H-1,3-benzodioxol-5-yl)-2-[1-oxo-4-(pyrrolidin-1-yl)phthalazin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[1-oxo-4-(pyrrolidin-1-yl)phthalazin-2(1H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[1-oxo-4-(pyrrolidin-1-yl)phthalazin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | M183-0162 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[1-oxo-4-(pyrrolidin-1-yl)phthalazin-2(1H)-yl]acetamide |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C21 H20 N4 O4 |
| Smiles: | C1CCN(C1)C1c2ccccc2C(N(CC(Nc2ccc3c(c2)OCO3)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6923 |
| logD: | 2.6923 |
| logSw: | -3.327 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.868 |
| InChI Key: | YCQXVIDXVCAPKL-UHFFFAOYSA-N |