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27506-81-6 | 2,4,6(2H,6H)-Pyrimidinetrione, 5-ethyldihydro-1,3-bis[(1-oxopropoxy)methyl]-5-phenyl-
CAS No: 27506-81-6 Catalog No: AG002TYX MDL No:
Product Description
Catalog Number:
AG002TYX
Chemical Name:
2,4,6(2H,6H)-Pyrimidinetrione, 5-ethyldihydro-1,3-bis[(1-oxopropoxy)methyl]-5-phenyl-
CAS Number:
27506-81-6
Molecular Formula:
C20H24N2O7
Molecular Weight:
404.4138
IUPAC Name:
[5-ethyl-2,4,6-trioxo-5-phenyl-3-(propanoyloxymethyl)-1,3-diazinan-1-yl]methyl propanoate
InChI:
InChI=1S/C20H24N2O7/c1-4-15(23)28-12-21-17(25)20(6-3,14-10-8-7-9-11-14)18(26)22(19(21)27)13-29-16(24)5-2/h7-11H,4-6,12-13H2,1-3H3
InChI Key:
CCZSDYAMFHIDNA-UHFFFAOYSA-N
SMILES:
CCC(=O)OCN1C(=O)N(COC(=O)CC)C(=O)C(C1=O)(CC)c1ccccc1
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.158g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.419g/mol
Monoisotopic Mass:
404.158g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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