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773103-15-4 | 4(3H)-Pyrimidinone, 5-bromo-6-(phenylmethoxy)-3-(phenylmethyl)-
CAS No: 773103-15-4 Catalog No: AG0054Q5 MDL No:
Product Description
Catalog Number:
AG0054Q5
Chemical Name:
4(3H)-Pyrimidinone, 5-bromo-6-(phenylmethoxy)-3-(phenylmethyl)-
CAS Number:
773103-15-4
Molecular Formula:
C18H15BrN2O2
Molecular Weight:
371.2279
IUPAC Name:
3-benzyl-5-bromo-6-phenylmethoxypyrimidin-4-one
InChI:
InChI=1S/C18H15BrN2O2/c19-16-17(23-12-15-9-5-2-6-10-15)20-13-21(18(16)22)11-14-7-3-1-4-8-14/h1-10,13H,11-12H2
InChI Key:
QNAOTWRJJMVAEK-UHFFFAOYSA-N
SMILES:
Brc1c(OCc2ccccc2)ncn(c1=O)Cc1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.032g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.234g/mol
Monoisotopic Mass:
370.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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