2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide
2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C696-0714 |
| Compound Name: | 2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 460.49 |
| Molecular Formula: | C25 H24 N4 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CN1C(c2ccccc2C(Cc2ccncc2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8216 |
| logD: | 1.8174 |
| logSw: | -2.576 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.654 |
| InChI Key: | KHBBOJMLLKUXAL-UHFFFAOYSA-N |