N-{[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}isoleucine
Chemical Structure Depiction of
N-{[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}isoleucine
N-{[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}isoleucine
Compound characteristics
| Compound ID: | Y043-1843 |
| Compound Name: | N-{[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}isoleucine |
| Molecular Weight: | 377.83 |
| Molecular Formula: | C18 H20 Cl N3 O4 |
| Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC(CN1C(C=CC(c2ccc(cc2)[Cl])=N1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4011 |
| logD: | -2.2281 |
| logSw: | -2.7243 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.051 |
| InChI Key: | WLXBPUJUCKMDQA-DIFFPNOSSA-N |