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119321-60-7 | 4(3H)-Pyrimidinone, 2-(methylthio)-3-[4-[3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-
CAS No: 119321-60-7 Catalog No: AG000ILF MDL No:
Product Description
Catalog Number:
AG000ILF
Chemical Name:
4(3H)-Pyrimidinone, 2-(methylthio)-3-[4-[3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-
CAS Number:
119321-60-7
Molecular Formula:
C24H28N4O2S
Molecular Weight:
436.5697
IUPAC Name:
2-methylsulfanyl-3-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]pyrimidin-4-one
InChI:
InChI=1S/C24H28N4O2S/c1-31-24-25-13-12-23(29)28(24)21-8-10-22(11-9-21)30-19-5-14-26-15-17-27(18-16-26)20-6-3-2-4-7-20/h2-4,6-13H,5,14-19H2,1H3
InChI Key:
CNRJNQTUMNGQST-UHFFFAOYSA-N
SMILES:
CSc1nccc(=O)n1c1ccc(cc1)OCCCN1CCN(CC1)c1ccccc1
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.193g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.574g/mol
Monoisotopic Mass:
436.193g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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