N-{[3-(naphthalen-1-yl)-6-oxopyridazin-1(6H)-yl]acetyl}isoleucine
Chemical Structure Depiction of
N-{[3-(naphthalen-1-yl)-6-oxopyridazin-1(6H)-yl]acetyl}isoleucine
N-{[3-(naphthalen-1-yl)-6-oxopyridazin-1(6H)-yl]acetyl}isoleucine
Compound characteristics
| Compound ID: | Y043-1671 |
| Compound Name: | N-{[3-(naphthalen-1-yl)-6-oxopyridazin-1(6H)-yl]acetyl}isoleucine |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C22 H23 N3 O4 |
| Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC(CN1C(C=CC(c2cccc3ccccc23)=N1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6817 |
| logD: | -1.9474 |
| logSw: | -2.6995 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.779 |
| InChI Key: | UIMQDGMXAOTCGB-SZNDQCEHSA-N |