2-[4-{4-[(Benzyloxy)carbonyl]piperazino}-5-chloro-6-oxo-1(6H)-pyridazinyl]acetic acid

Base Information

• Chemical Name: 2-[4-{4-[(Benzyloxy)carbonyl]piperazino}-5-chloro-6-oxo-1(6H)-pyridazinyl]acetic acid
• CAS No.: 1000018-20-1
• Molecular Formula: C18H19ClN4O5
• Molecular Weight: 406.8
• DSSTox Substance ID: DTXSID801123932
• Mol file: 1000018-20-1.mol

Synonyms:1000018-20-1;2-[4-{4-[(Benzyloxy)carbonyl]piperazino}-5-chloro-6-oxo-1(6H)-pyridazinyl]acetic acid;2-(4-(4-((Benzyloxy)carbonyl)piperazin-1-yl)-5-chloro-6-oxopyridazin-1(6H)-yl)acetic acid;2-[5-chloro-6-oxo-4-(4-phenylmethoxycarbonylpiperazin-1-yl)pyridazin-1-yl]acetic acid;1(6H)-Pyridazineacetic acid, 5-chloro-6-oxo-4-[4-[(phenylmethoxy)carbonyl]-1-piperazinyl]-;DTXSID801123932;MFCD09864830;AKOS005073218;KB-0801;A927098;[4-Piperazin-1-yl-5-chloro-6-oxo-6H-pyridazin-1-yl]acetic acid, N4-CBZ protected;2-(4-(4-((Benzyloxy)carbonyl)piperazin-1-yl)-5-chloro-6-oxopyridazin-1(6H)-yl)aceticacid;5-Chloro-6-oxo-4-[4-[(phenylmethoxy)carbonyl]-1-piperazinyl]-1(6H)-pyridazineacetic acid;2-(4-{4-[(benzyloxy)carbonyl]piperazin-1-yl}-5-chloro-6-oxo-1,6-dihydropyridazin-1-yl)acetic acid

Chemical Property of 2-[4-{4-[(Benzyloxy)carbonyl]piperazino}-5-chloro-6-oxo-1(6H)-pyridazinyl]acetic acid

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 406.1043974
• Heavy Atom Count: 28
• Complexity: 682

Purity/Quality:

97% ^*data from raw suppliers

[4-Piperazin-1-yl-5-chloro-6-oxo-6H-pyridazin-1-yl]acetic acid, N4-Cbz protected ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1C2=C(C(=O)N(N=C2)CC(=O)O)Cl)C(=O)OCC3=CC=CC=C3