methyl 4-{2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
methyl 4-{2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | Y043-1659 |
| Compound Name: | methyl 4-{2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate |
| Molecular Weight: | 423.42 |
| Molecular Formula: | C22 H21 N3 O6 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(C=CC(c2ccc(c(c2)OC)OC)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6843 |
| logD: | 2.6843 |
| logSw: | -3.1377 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.132 |
| InChI Key: | TVBVPWHIIMZODZ-UHFFFAOYSA-N |