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89069-44-3 | 4(3H)-Pyrimidinone, 3-(4-fluorophenyl)-2-(methylthio)-6-phenyl-
CAS No: 89069-44-3 Catalog No: AG0040YT MDL No:
Product Description
Catalog Number:
AG0040YT
Chemical Name:
4(3H)-Pyrimidinone, 3-(4-fluorophenyl)-2-(methylthio)-6-phenyl-
CAS Number:
89069-44-3
Molecular Formula:
C17H13FN2OS
Molecular Weight:
312.3613
IUPAC Name:
3-(4-fluorophenyl)-2-methylsulfanyl-6-phenylpyrimidin-4-one
InChI:
InChI=1S/C17H13FN2OS/c1-22-17-19-15(12-5-3-2-4-6-12)11-16(21)20(17)14-9-7-13(18)8-10-14/h2-11H,1H3
InChI Key:
OOJNOQAXBOFJJB-UHFFFAOYSA-N
SMILES:
CSc1nc(cc(=O)n1c1ccc(cc1)F)c1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.362g/mol
Monoisotopic Mass:
312.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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