methyl N-{[3-(2-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-L-valinate
Chemical Structure Depiction of
methyl N-{[3-(2-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-L-valinate
methyl N-{[3-(2-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-L-valinate
Compound characteristics
| Compound ID: | Y043-5041 |
| Compound Name: | methyl N-{[3-(2-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-L-valinate |
| Molecular Weight: | 377.83 |
| Molecular Formula: | C18 H20 Cl N3 O4 |
| Smiles: | CC(C)[C@@H](C(=O)OC)NC(CN1C(C=CC(c2ccccc2[Cl])=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5524 |
| logD: | 2.5524 |
| logSw: | -3.4212 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.816 |
| InChI Key: | XHKPFAKMWPULQY-KRWDZBQOSA-N |