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Home > Fluorides > 125346-06-7
125346-06-7 | 9H-Purine, 6-[[3-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]propyl]thio]-
CAS No: 125346-06-7 Catalog No: AG000NIZ MDL No:
Product Description
Catalog Number:
AG000NIZ
Chemical Name:
9H-Purine, 6-[[3-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]propyl]thio]-
CAS Number:
125346-06-7
Molecular Formula:
C25H26F2N6S
Molecular Weight:
480.5759
IUPAC Name:
6-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propylsulfanyl]-7H-purine
InChI:
InChI=1S/C25H26F2N6S/c26-20-6-2-18(3-7-20)23(19-4-8-21(27)9-5-19)33-13-11-32(12-14-33)10-1-15-34-25-22-24(29-16-28-22)30-17-31-25/h2-9,16-17,23H,1,10-15H2,(H,28,29,30,31)
InChI Key:
FIKUUKZURPKAKN-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)CCCSc1ncnc2c1nc[nH]2
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.191g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
480.582g/mol
Monoisotopic Mass:
480.191g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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