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879410-45-4 | 2,4(1H,3H)-Pyrimidinedione, 1-[(4-ethenylphenyl)methyl]-6-undecyl-
CAS No: 879410-45-4 Catalog No: AG004D7G MDL No:
Product Description
Catalog Number:
AG004D7G
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[(4-ethenylphenyl)methyl]-6-undecyl-
CAS Number:
879410-45-4
Molecular Formula:
C24H34N2O2
Molecular Weight:
382.5390
IUPAC Name:
1-[(4-ethenylphenyl)methyl]-6-undecylpyrimidine-2,4-dione
InChI:
InChI=1S/C24H34N2O2/c1-3-5-6-7-8-9-10-11-12-13-22-18-23(27)25-24(28)26(22)19-21-16-14-20(4-2)15-17-21/h4,14-18H,2-3,5-13,19H2,1H3,(H,25,27,28)
InChI Key:
WRHUBNQPHIUFPB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCc1cc(=O)[nH]c(=O)n1Cc1ccc(cc1)C=C
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.262g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.548g/mol
Monoisotopic Mass:
382.262g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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