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116392-88-2 | 2(1H)-Pyrimidinone, 1-[(phenylmethoxy)methyl]-5-(phenylthio)-
CAS No: 116392-88-2 Catalog No: AG000CDP MDL No:
Product Description
Catalog Number:
AG000CDP
Chemical Name:
2(1H)-Pyrimidinone, 1-[(phenylmethoxy)methyl]-5-(phenylthio)-
CAS Number:
116392-88-2
Molecular Formula:
C18H16N2O2S
Molecular Weight:
324.3968
IUPAC Name:
1-(phenylmethoxymethyl)-5-phenylsulfanylpyrimidin-2-one
InChI:
InChI=1S/C18H16N2O2S/c21-18-19-11-17(23-16-9-5-2-6-10-16)12-20(18)14-22-13-15-7-3-1-4-8-15/h1-12H,13-14H2
InChI Key:
NQWRAKYPYLULBO-UHFFFAOYSA-N
SMILES:
O=c1ncc(cn1COCc1ccccc1)Sc1ccccc1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.093g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.398g/mol
Monoisotopic Mass:
324.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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