4-({2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)benzoic acid
Chemical Structure Depiction of
4-({2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)benzoic acid
4-({2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)benzoic acid
Compound characteristics
| Compound ID: | Y043-1518 |
| Compound Name: | 4-({2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)benzoic acid |
| Molecular Weight: | 423.42 |
| Molecular Formula: | C22 H21 N3 O6 |
| Smiles: | COc1ccc(cc1OC)C1C=CC(N(CC(NCc2ccc(cc2)C(O)=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0196 |
| logD: | -0.9519 |
| logSw: | -2.5679 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.688 |
| InChI Key: | LWUVCKBIEGCMLL-UHFFFAOYSA-N |