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178408-27-0 | 2-Piperazinone, 3-[2-(4-chlorophenyl)-2-oxoethylidene]-1-phenyl-
CAS No: 178408-27-0 Catalog No: AG00260R MDL No:
Product Description
Catalog Number:
AG00260R
Chemical Name:
2-Piperazinone, 3-[2-(4-chlorophenyl)-2-oxoethylidene]-1-phenyl-
CAS Number:
178408-27-0
Molecular Formula:
C18H15ClN2O2
Molecular Weight:
326.7769
IUPAC Name:
3-[2-(4-chlorophenyl)-2-oxoethylidene]-1-phenylpiperazin-2-one
InChI:
InChI=1S/C18H15ClN2O2/c19-14-8-6-13(7-9-14)17(22)12-16-18(23)21(11-10-20-16)15-4-2-1-3-5-15/h1-9,12,20H,10-11H2
InChI Key:
GEKOHDHOOPJRTA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)C=C1NCCN(C1=O)c1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.082g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.78g/mol
Monoisotopic Mass:
326.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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