methyl {4-[2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetamido]phenoxy}acetate
Chemical Structure Depiction of
methyl {4-[2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetamido]phenoxy}acetate
methyl {4-[2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetamido]phenoxy}acetate
Compound characteristics
| Compound ID: | 8013-0456 |
| Compound Name: | methyl {4-[2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetamido]phenoxy}acetate |
| Molecular Weight: | 443.46 |
| Molecular Formula: | C25 H21 N3 O5 |
| Smiles: | COC(COc1ccc(cc1)NC(CN1C(c2ccccc2C(c2ccccc2)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6984 |
| logD: | 2.6984 |
| logSw: | -3.4555 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.423 |
| InChI Key: | QCZJRMVBAQAMBX-UHFFFAOYSA-N |