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178408-24-7 | 2-Piperazinone, 3-[2-(2,3-dimethylphenyl)-2-oxoethylidene]-1-phenyl-
CAS No: 178408-24-7 Catalog No: AG00260T MDL No:
Product Description
Catalog Number:
AG00260T
Chemical Name:
2-Piperazinone, 3-[2-(2,3-dimethylphenyl)-2-oxoethylidene]-1-phenyl-
CAS Number:
178408-24-7
Molecular Formula:
C20H20N2O2
Molecular Weight:
320.3850
IUPAC Name:
3-[2-(2,3-dimethylphenyl)-2-oxoethylidene]-1-phenylpiperazin-2-one
InChI:
InChI=1S/C20H20N2O2/c1-14-7-6-10-17(15(14)2)19(23)13-18-20(24)22(12-11-21-18)16-8-4-3-5-9-16/h3-10,13,21H,11-12H2,1-2H3
InChI Key:
ZLTXXRUBVFNENU-UHFFFAOYSA-N
SMILES:
O=C1C(=CC(=O)c2cccc(c2C)C)NCCN1c1ccccc1
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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