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178408-22-5 | 2-Piperazinone, 3-[2-(4-methylphenyl)-2-oxoethylidene]-1-phenyl-
CAS No: 178408-22-5 Catalog No: AG00260V MDL No:
Product Description
Catalog Number:
AG00260V
Chemical Name:
2-Piperazinone, 3-[2-(4-methylphenyl)-2-oxoethylidene]-1-phenyl-
CAS Number:
178408-22-5
Molecular Formula:
C19H18N2O2
Molecular Weight:
306.3584
IUPAC Name:
3-[2-(4-methylphenyl)-2-oxoethylidene]-1-phenylpiperazin-2-one
InChI:
InChI=1S/C19H18N2O2/c1-14-7-9-15(10-8-14)18(22)13-17-19(23)21(12-11-20-17)16-5-3-2-4-6-16/h2-10,13,20H,11-12H2,1H3
InChI Key:
YMKCZHHGVPUGAT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)C=C1NCCN(C1=O)c1ccccc1
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.365g/mol
Monoisotopic Mass:
306.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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