4-({2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)benzoic acid
Chemical Structure Depiction of
4-({2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)benzoic acid
4-({2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)benzoic acid
Compound characteristics
| Compound ID: | Y043-1498 |
| Compound Name: | 4-({2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)benzoic acid |
| Molecular Weight: | 411.39 |
| Molecular Formula: | C21 H18 F N3 O5 |
| Smiles: | COc1ccc(C2C=CC(N(CC(NCc3ccc(cc3)C(O)=O)=O)N=2)=O)c(c1)F |
| Stereo: | ACHIRAL |
| logP: | 2.743 |
| logD: | -0.2284 |
| logSw: | -3.1908 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.971 |
| InChI Key: | CYPGOCZCQRGNIC-UHFFFAOYSA-N |