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885477-83-8 | ((4-(4-Fluorophenyl);-6-isopropyl-2-(N-methylmethylsulfonamido);pyrimidin-5-yl);methyl);triphenylphosphonium bromide
CAS No: 885477-83-8 Catalog No: AG003U55 MDL No:MFCD12911893
Product Description
Catalog Number:
AG003U55
Chemical Name:
((4-(4-Fluorophenyl);-6-isopropyl-2-(N-methylmethylsulfonamido);pyrimidin-5-yl);methyl);triphenylphosphonium bromide
CAS Number:
885477-83-8
Molecular Formula:
C34H34BrFN3O2PS
Molecular Weight:
678.5938
MDL Number:
MFCD12911893
IUPAC Name:
[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C34H34FN3O2PS.BrH/c1-25(2)32-31(33(26-20-22-27(35)23-21-26)37-34(36-32)38(3)42(4,39)40)24-41(28-14-8-5-9-15-28,29-16-10-6-11-17-29)30-18-12-7-13-19-30;/h5-23,25H,24H2,1-4H3;1H/q+1;/p-1
InChI Key:
GGEHQGAHLWFTET-UHFFFAOYSA-M
SMILES:
Fc1ccc(cc1)c1nc(nc(c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C)N(S(=O)(=O)C)C.[Br-]
Properties
Complexity:
889
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
677.128g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
678.601g/mol
Monoisotopic Mass:
677.128g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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