methyl 2-{2-[3-(4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-(4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
methyl 2-{2-[3-(4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | K788-4258 |
| Compound Name: | methyl 2-{2-[3-(4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate |
| Molecular Weight: | 393.4 |
| Molecular Formula: | C21 H19 N3 O5 |
| Smiles: | COC(c1ccccc1NC(CN1C(C=CC(c2ccc(cc2)OC)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7198 |
| logD: | 2.714 |
| logSw: | -3.2764 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.717 |
| InChI Key: | JVXAVMKCGBVFFB-UHFFFAOYSA-N |