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89069-41-0 | 4(3H)-Pyrimidinone, 2-(methylthio)-3,6-diphenyl-
CAS No: 89069-41-0 Catalog No: AG0040RS MDL No:
Product Description
Catalog Number:
AG0040RS
Chemical Name:
4(3H)-Pyrimidinone, 2-(methylthio)-3,6-diphenyl-
CAS Number:
89069-41-0
Molecular Formula:
C17H14N2OS
Molecular Weight:
294.3709
IUPAC Name:
2-methylsulfanyl-3,6-diphenylpyrimidin-4-one
InChI:
InChI=1S/C17H14N2OS/c1-21-17-18-15(13-8-4-2-5-9-13)12-16(20)19(17)14-10-6-3-7-11-14/h2-12H,1H3
InChI Key:
YEJIECJPKDBEKC-UHFFFAOYSA-N
SMILES:
CSc1nc(cc(=O)n1c1ccccc1)c1ccccc1
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.372g/mol
Monoisotopic Mass:
294.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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