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178408-26-9 | 2-Piperazinone, 3-[2-(4-ethoxyphenyl)-2-oxoethylidene]-1-phenyl-
CAS No: 178408-26-9 Catalog No: AG00260S MDL No:
Product Description
Catalog Number:
AG00260S
Chemical Name:
2-Piperazinone, 3-[2-(4-ethoxyphenyl)-2-oxoethylidene]-1-phenyl-
CAS Number:
178408-26-9
Molecular Formula:
C20H20N2O3
Molecular Weight:
336.3844
IUPAC Name:
3-[2-(4-ethoxyphenyl)-2-oxoethylidene]-1-phenylpiperazin-2-one
InChI:
InChI=1S/C20H20N2O3/c1-2-25-17-10-8-15(9-11-17)19(23)14-18-20(24)22(13-12-21-18)16-6-4-3-5-7-16/h3-11,14,21H,2,12-13H2,1H3
InChI Key:
KXIZBFHIXVFFMW-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(=O)C=C1NCCN(C1=O)c1ccccc1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.391g/mol
Monoisotopic Mass:
336.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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