4-({2-[3-(3-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)benzoic acid
Chemical Structure Depiction of
4-({2-[3-(3-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)benzoic acid
4-({2-[3-(3-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)benzoic acid
Compound characteristics
| Compound ID: | Y043-1238 |
| Compound Name: | 4-({2-[3-(3-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)benzoic acid |
| Molecular Weight: | 393.4 |
| Molecular Formula: | C21 H19 N3 O5 |
| Smiles: | COc1cccc(c1)C1C=CC(N(CC(NCc2ccc(cc2)C(O)=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4575 |
| logD: | -0.514 |
| logSw: | -2.5957 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.971 |
| InChI Key: | ZITRKIDKBMNJQR-UHFFFAOYSA-N |