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14080-15-0 | 2(1H)-Pyrimidinone, 5-benzoyl-3,4-dihydro-6-methyl-4-phenyl-
CAS No: 14080-15-0 Catalog No: AG001CRX MDL No:
Product Description
Catalog Number:
AG001CRX
Chemical Name:
2(1H)-Pyrimidinone, 5-benzoyl-3,4-dihydro-6-methyl-4-phenyl-
CAS Number:
14080-15-0
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
IUPAC Name:
5-benzoyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
InChI:
InChI=1S/C18H16N2O2/c1-12-15(17(21)14-10-6-3-7-11-14)16(20-18(22)19-12)13-8-4-2-5-9-13/h2-11,16H,1H3,(H2,19,20,22)
InChI Key:
AXQTZQLONJUTAN-UHFFFAOYSA-N
SMILES:
O=C1NC(=C(C(N1)c1ccccc1)C(=O)c1ccccc1)C
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.338g/mol
Monoisotopic Mass:
292.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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