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90301-39-6 | 2,5-Piperazinedione, 3,6-dimethoxy-1,4-bis(phenylmethyl)-
CAS No: 90301-39-6 Catalog No: AG006G05 MDL No:
Product Description
Catalog Number:
AG006G05
Chemical Name:
2,5-Piperazinedione, 3,6-dimethoxy-1,4-bis(phenylmethyl)-
CAS Number:
90301-39-6
Molecular Formula:
C20H22N2O4
Molecular Weight:
354.3997
IUPAC Name:
1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione
InChI:
InChI=1S/C20H22N2O4/c1-25-19-17(23)22(14-16-11-7-4-8-12-16)20(26-2)18(24)21(19)13-15-9-5-3-6-10-15/h3-12,19-20H,13-14H2,1-2H3
InChI Key:
VTZXWMFVBXSSSE-UHFFFAOYSA-N
SMILES:
COC1C(=O)N(Cc2ccccc2)C(C(=O)N1Cc1ccccc1)OC
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.406g/mol
Monoisotopic Mass:
354.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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