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823220-78-6 | Pyrimidine, 4-ethenyl-2-(methylthio)-6-(4-phenyl-1-piperazinyl)-
CAS No: 823220-78-6 Catalog No: AG005EGL MDL No:
Product Description
Catalog Number:
AG005EGL
Chemical Name:
Pyrimidine, 4-ethenyl-2-(methylthio)-6-(4-phenyl-1-piperazinyl)-
CAS Number:
823220-78-6
Molecular Formula:
C17H20N4S
Molecular Weight:
312.4325
IUPAC Name:
4-ethenyl-2-methylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidine
InChI:
InChI=1S/C17H20N4S/c1-3-14-13-16(19-17(18-14)22-2)21-11-9-20(10-12-21)15-7-5-4-6-8-15/h3-8,13H,1,9-12H2,2H3
InChI Key:
HJEJHXHAJGHCLY-UHFFFAOYSA-N
SMILES:
CSc1nc(cc(n1)C=C)N1CCN(CC1)c1ccccc1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.141g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.435g/mol
Monoisotopic Mass:
312.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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