N-{[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alanine
N-{[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | Y043-1847 |
| Compound Name: | N-{[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alanine |
| Molecular Weight: | 335.74 |
| Molecular Formula: | C15 H14 Cl N3 O4 |
| Smiles: | C(CNC(CN1C(C=CC(c2ccc(cc2)[Cl])=N1)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4875 |
| logD: | -2.2082 |
| logSw: | -2.4406 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.516 |
| InChI Key: | AQMGDLQSRLAAEA-UHFFFAOYSA-N |