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Home > Fluorides > 147118-36-3
147118-36-3 | Methanesulfonamide, N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-
CAS No: 147118-36-3 Catalog No: AG001EN2 MDL No:MFCD08063917
Product Description
Catalog Number:
AG001EN2
Chemical Name:
Methanesulfonamide, N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-
CAS Number:
147118-36-3
Molecular Formula:
C16H20FN3O3S
Molecular Weight:
353.4117
MDL Number:
MFCD08063917
IUPAC Name:
N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
InChI:
InChI=1S/C16H20FN3O3S/c1-10(2)14-13(9-21)15(11-5-7-12(17)8-6-11)19-16(18-14)20(3)24(4,22)23/h5-8,10,21H,9H2,1-4H3
InChI Key:
MSDYDUNHTAYBHV-UHFFFAOYSA-N
SMILES:
OCc1c(nc(nc1C(C)C)N(S(=O)(=O)C)C)c1ccc(cc1)F
EC Number:
604-563-9
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.121g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.412g/mol
Monoisotopic Mass:
353.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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