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15155-38-1 | 2,5-Pyrrolidinedione, 1,1'-[1,4-piperazinediylbis(methylene)]bis[3-phenyl- (9CI)
CAS No: 15155-38-1 Catalog No: AG001NF8 MDL No:
Product Description
Catalog Number:
AG001NF8
Chemical Name:
2,5-Pyrrolidinedione, 1,1'-[1,4-piperazinediylbis(methylene)]bis[3-phenyl- (9CI)
CAS Number:
15155-38-1
Molecular Formula:
C26H28N4O4
Molecular Weight:
460.5249
IUPAC Name:
1-[[4-[(2,5-dioxo-3-phenylpyrrolidin-1-yl)methyl]piperazin-1-yl]methyl]-3-phenylpyrrolidine-2,5-dione
InChI:
InChI=1S/C26H28N4O4/c31-23-15-21(19-7-3-1-4-8-19)25(33)29(23)17-27-11-13-28(14-12-27)18-30-24(32)16-22(26(30)34)20-9-5-2-6-10-20/h1-10,21-22H,11-18H2
InChI Key:
CSQHFKPJMOYEJJ-UHFFFAOYSA-N
SMILES:
O=C1CC(C(=O)N1CN1CCN(CC1)CN1C(=O)CC(C1=O)c1ccccc1)c1ccccc1
Properties
Complexity:
731
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.211g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.534g/mol
Monoisotopic Mass:
460.211g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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