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102667-22-1 | 2,5-Piperazinedione, 1,4-bis[2-(3,4-dimethoxyphenyl)ethyl]-
CAS No: 102667-22-1 Catalog No: AG000823 MDL No:
Product Description
Catalog Number:
AG000823
Chemical Name:
2,5-Piperazinedione, 1,4-bis[2-(3,4-dimethoxyphenyl)ethyl]-
CAS Number:
102667-22-1
Molecular Formula:
C24H30N2O6
Molecular Weight:
442.5048
IUPAC Name:
1,4-bis[2-(3,4-dimethoxyphenyl)ethyl]piperazine-2,5-dione
InChI:
InChI=1S/C24H30N2O6/c1-29-19-7-5-17(13-21(19)31-3)9-11-25-15-24(28)26(16-23(25)27)12-10-18-6-8-20(30-2)22(14-18)32-4/h5-8,13-14H,9-12,15-16H2,1-4H3
InChI Key:
JHIOJSFOOYZTRC-UHFFFAOYSA-N
SMILES:
COc1cc(CCN2CC(=O)N(CC2=O)CCc2ccc(c(c2)OC)OC)ccc1OC
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.21g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.512g/mol
Monoisotopic Mass:
442.21g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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