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320418-10-8 | 4-(benzylsulfanyl)-6-(4-chlorophenyl)-2-(4-pyridinyl)-5-pyrimidinecarbonitrile
CAS No: 320418-10-8 Catalog No: AG01FOQB MDL No:
Product Description
Catalog Number:
AG01FOQB
Chemical Name:
4-(benzylsulfanyl)-6-(4-chlorophenyl)-2-(4-pyridinyl)-5-pyrimidinecarbonitrile
CAS Number:
320418-10-8
IUPAC Name:
4-benzylsulfanyl-6-(4-chlorophenyl)-2-pyridin-4-ylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C23H15ClN4S/c24-19-8-6-17(7-9-19)21-20(14-25)23(29-15-16-4-2-1-3-5-16)28-22(27-21)18-10-12-26-13-11-18/h1-13H,15H2
InChI Key:
RMEGUDDBBWNHLX-UHFFFAOYSA-N
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.071g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.911g/mol
Monoisotopic Mass:
414.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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