methyl N-{[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-L-valinate
Chemical Structure Depiction of
methyl N-{[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-L-valinate
methyl N-{[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-L-valinate
Compound characteristics
| Compound ID: | Y041-5006 |
| Compound Name: | methyl N-{[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-L-valinate |
| Molecular Weight: | 403.43 |
| Molecular Formula: | C20 H25 N3 O6 |
| Smiles: | CC(C)[C@@H](C(=O)OC)NC(CN1C(C=CC(c2ccc(c(c2)OC)OC)=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7254 |
| logD: | 1.7254 |
| logSw: | -2.4312 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.077 |
| InChI Key: | XUSZYEMOZSKZNU-IBGZPJMESA-N |