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1003151-98-1 | 4-{3-[(4-Methyl-1-piperazinyl)carbonyl]anilino}-4-oxobutanoic acid
CAS No: 1003151-98-1 Catalog No: AG01FOE2 MDL No:
Product Description
Catalog Number:
AG01FOE2
Chemical Name:
4-{3-[(4-Methyl-1-piperazinyl)carbonyl]anilino}-4-oxobutanoic acid
CAS Number:
1003151-98-1
IUPAC Name:
4-[3-(4-methylpiperazine-1-carbonyl)anilino]-4-oxobutanoic acid
InChI:
InChI=1S/C16H21N3O4/c1-18-7-9-19(10-8-18)16(23)12-3-2-4-13(11-12)17-14(20)5-6-15(21)22/h2-4,11H,5-10H2,1H3,(H,17,20)(H,21,22)
InChI Key:
ITWCFXXYOKHJBT-UHFFFAOYSA-N
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.361g/mol
Monoisotopic Mass:
319.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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