N-[(7,8-dimethoxy-1-oxophthalazin-2(1H)-yl)acetyl]-beta-alanine
Chemical Structure Depiction of
N-[(7,8-dimethoxy-1-oxophthalazin-2(1H)-yl)acetyl]-beta-alanine
N-[(7,8-dimethoxy-1-oxophthalazin-2(1H)-yl)acetyl]-beta-alanine
Compound characteristics
| Compound ID: | Y043-1884 |
| Compound Name: | N-[(7,8-dimethoxy-1-oxophthalazin-2(1H)-yl)acetyl]-beta-alanine |
| Molecular Weight: | 335.31 |
| Molecular Formula: | C15 H17 N3 O6 |
| Smiles: | COc1ccc2C=NN(CC(NCCC(O)=O)=O)C(c2c1OC)=O |
| Stereo: | ACHIRAL |
| logP: | -1.1159 |
| logD: | -3.8116 |
| logSw: | -1.9736 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.546 |
| InChI Key: | KOVWNTJXZCYROY-UHFFFAOYSA-N |