N-{[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}isoleucine
Chemical Structure Depiction of
N-{[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}isoleucine
N-{[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}isoleucine
Compound characteristics
| Compound ID: | Y043-1514 |
| Compound Name: | N-{[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}isoleucine |
| Molecular Weight: | 403.43 |
| Molecular Formula: | C20 H25 N3 O6 |
| Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC(CN1C(C=CC(c2ccc(c(c2)OC)OC)=N1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.3871 |
| logD: | -3.2421 |
| logSw: | -1.9488 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.312 |
| InChI Key: | RJCFXBUAYRABEN-BLVKFPJESA-N |