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Home > Fluorides > 147118-37-4
147118-37-4 | Methanesulfonamide, N-[4-(4-fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-
CAS No: 147118-37-4 Catalog No: AG001EN1 MDL No:MFCD08458342
Product Description
Catalog Number:
AG001EN1
Chemical Name:
Methanesulfonamide, N-[4-(4-fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-
CAS Number:
147118-37-4
Molecular Formula:
C16H18FN3O3S
Molecular Weight:
351.3958
MDL Number:
MFCD08458342
IUPAC Name:
N-[4-(4-fluorophenyl)-5-formyl-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
InChI:
InChI=1S/C16H18FN3O3S/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/h5-10H,1-4H3
InChI Key:
WOCOTUDOVSLFOB-UHFFFAOYSA-N
SMILES:
O=Cc1c(nc(nc1C(C)C)N(S(=O)(=O)C)C)c1ccc(cc1)F
EC Number:
604-564-4
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.105g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.396g/mol
Monoisotopic Mass:
351.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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