methyl N-{[3-(2-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alaninate
Chemical Structure Depiction of
methyl N-{[3-(2-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alaninate
methyl N-{[3-(2-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alaninate
Compound characteristics
| Compound ID: | Y042-5864 |
| Compound Name: | methyl N-{[3-(2-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alaninate |
| Molecular Weight: | 349.77 |
| Molecular Formula: | C16 H16 Cl N3 O4 |
| Smiles: | COC(CCNC(CN1C(C=CC(c2ccccc2[Cl])=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0148 |
| logD: | 1.0148 |
| logSw: | -2.9055 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.711 |
| InChI Key: | CPKABFGLYUIICK-UHFFFAOYSA-N |