N-{[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alanine
N-{[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | Y043-1507 |
| Compound Name: | N-{[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alanine |
| Molecular Weight: | 349.32 |
| Molecular Formula: | C16 H16 F N3 O5 |
| Smiles: | COc1cc(ccc1C1C=CC(N(CC(NCCC(O)=O)=O)N=1)=O)F |
| Stereo: | ACHIRAL |
| logP: | -0.0026 |
| logD: | -2.6982 |
| logSw: | -2.2667 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.146 |
| InChI Key: | BHHZMZWVIWWOCZ-UHFFFAOYSA-N |