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Home Sulfos 5-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-

5-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-

CAS No.:
1263475-93-9
Catalog Number:
AG000SOX
Molecular Formula:
C16H18FN3O4S
Molecular Weight:
367.3952
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$523
- +
250mg
95%
In Stock USA
United States
$782
- +
Product Description
Catalog Number:
AG000SOX
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-
CAS Number:
1263475-93-9
Molecular Formula:
C16H18FN3O4S
Molecular Weight:
367.3952
MDL Number:
MFCD08063916
IUPAC Name:
4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C16H18FN3O4S/c1-9(2)13-12(15(21)22)14(10-5-7-11(17)8-6-10)19-16(18-13)20(3)25(4,23)24/h5-9H,1-4H3,(H,21,22)
InChI Key:
CHMLXRMRDRNBMV-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nc(nc(c1C(=O)O)C(C)C)N(S(=O)(=O)C)C
Properties
Complexity:
572  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.1g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
367.395g/mol
Monoisotopic Mass:
367.1g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties