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178408-30-5 | 2-Piperazinone, 3-[2-(1-naphthalenyl)-2-oxoethylidene]-1-phenyl-
CAS No: 178408-30-5 Catalog No: AG00260P MDL No:
Product Description
Catalog Number:
AG00260P
Chemical Name:
2-Piperazinone, 3-[2-(1-naphthalenyl)-2-oxoethylidene]-1-phenyl-
CAS Number:
178408-30-5
Molecular Formula:
C22H18N2O2
Molecular Weight:
342.3905
IUPAC Name:
3-(2-naphthalen-1-yl-2-oxoethylidene)-1-phenylpiperazin-2-one
InChI:
InChI=1S/C22H18N2O2/c25-21(19-12-6-8-16-7-4-5-11-18(16)19)15-20-22(26)24(14-13-23-20)17-9-2-1-3-10-17/h1-12,15,23H,13-14H2
InChI Key:
BQUIARAAYXXWEF-UHFFFAOYSA-N
SMILES:
O=C1C(=CC(=O)c2cccc3c2cccc3)NCCN1c1ccccc1
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.137g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.398g/mol
Monoisotopic Mass:
342.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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