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178408-23-6

178408-23-6 | 2-Piperazinone, 3-[2-(2,4-dimethylphenyl)-2-oxoethylidene]-1-phenyl-

CAS No: 178408-23-6 Catalog No: AG00260U MDL No:

Product Description

Catalog Number:
AG00260U
Chemical Name:
2-Piperazinone, 3-[2-(2,4-dimethylphenyl)-2-oxoethylidene]-1-phenyl-
CAS Number:
178408-23-6
Molecular Formula:
C20H20N2O2
Molecular Weight:
320.3850
IUPAC Name:
3-[2-(2,4-dimethylphenyl)-2-oxoethylidene]-1-phenylpiperazin-2-one
InChI:
InChI=1S/C20H20N2O2/c1-14-8-9-17(15(2)12-14)19(23)13-18-20(24)22(11-10-21-18)16-6-4-3-5-7-16/h3-9,12-13,21H,10-11H2,1-2H3
InChI Key:
UFXULZWUKQIFFO-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)C(=O)C=C1NCCN(C1=O)c1ccccc1

Properties

Complexity:
508  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.152g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
320.392g/mol
Monoisotopic Mass:
320.152g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.6  

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