Home Other Building Blocks 1-Benzyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione

1-Benzyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione

CAS No.:
72846-00-5
Catalog Number:
AG003E09
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
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Product Description
Catalog Number:
AG003E09
Chemical Name:
1-Benzyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
CAS Number:
72846-00-5
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
MDL Number:
MFCD00082750
IUPAC Name:
1-benzyl-5-phenyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C17H14N2O3/c20-15-14(13-9-5-2-6-10-13)16(21)19(17(22)18-15)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,18,20,22)
InChI Key:
KCWWCWMGJOWTMY-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(C(=O)N1Cc1ccccc1)c1ccccc1
EC Number:
276-940-2
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties