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24664-51-5 | Acetamide, N-[4-[[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]amino]phenyl]-
CAS No: 24664-51-5 Catalog No: AG002OYZ MDL No:
Product Description
Catalog Number:
AG002OYZ
Chemical Name:
Acetamide, N-[4-[[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]amino]phenyl]-
CAS Number:
24664-51-5
Molecular Formula:
C19H18N4O2
Molecular Weight:
334.3718
IUPAC Name:
N-[4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]acetamide
InChI:
InChI=1S/C19H18N4O2/c1-13-18(19(25)23(22-13)17-6-4-3-5-7-17)12-20-15-8-10-16(11-9-15)21-14(2)24/h3-12,22H,1-2H3,(H,21,24)
InChI Key:
NLSXWTZQURZNGE-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)NC=C1C(=NN(C1=O)c1ccccc1)C
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.143g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.379g/mol
Monoisotopic Mass:
334.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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