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78201-59-9 | 2,3-Piperazinedione,1-[(2,4-dimethoxyphenyl)methyl]-4-hexyl-
CAS No: 78201-59-9 Catalog No: AG0054PA MDL No:
Product Description
Catalog Number:
AG0054PA
Chemical Name:
2,3-Piperazinedione,1-[(2,4-dimethoxyphenyl)methyl]-4-hexyl-
CAS Number:
78201-59-9
Molecular Formula:
C19H28N2O4
Molecular Weight:
348.4366
IUPAC Name:
1-[(2,4-dimethoxyphenyl)methyl]-4-hexylpiperazine-2,3-dione
InChI:
InChI=1S/C19H28N2O4/c1-4-5-6-7-10-20-11-12-21(19(23)18(20)22)14-15-8-9-16(24-2)13-17(15)25-3/h8-9,13H,4-7,10-12,14H2,1-3H3
InChI Key:
DEJXEQMGDZBWQR-UHFFFAOYSA-N
SMILES:
CCCCCCN1CCN(C(=O)C1=O)Cc1ccc(cc1OC)OC
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.205g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.443g/mol
Monoisotopic Mass:
348.205g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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