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89069-92-1 | 4(3H)-Pyrimidinone, 3,6-diphenyl-2-(phenylmethyl)-
CAS No: 89069-92-1 Catalog No: AG0040YN MDL No:
Product Description
Catalog Number:
AG0040YN
Chemical Name:
4(3H)-Pyrimidinone, 3,6-diphenyl-2-(phenylmethyl)-
CAS Number:
89069-92-1
Molecular Formula:
C23H18N2O
Molecular Weight:
338.4018
IUPAC Name:
2-benzyl-3,6-diphenylpyrimidin-4-one
InChI:
InChI=1S/C23H18N2O/c26-23-17-21(19-12-6-2-7-13-19)24-22(16-18-10-4-1-5-11-18)25(23)20-14-8-3-9-15-20/h1-15,17H,16H2
InChI Key:
MYNYPWKEKRRTNN-UHFFFAOYSA-N
SMILES:
O=c1cc(nc(n1c1ccccc1)Cc1ccccc1)c1ccccc1
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.41g/mol
Monoisotopic Mass:
338.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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