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147118-30-7 | 5-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-, ethyl ester
CAS No: 147118-30-7 Catalog No: AG001ELR MDL No:MFCD12828196
Product Description
Catalog Number:
AG001ELR
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-, ethyl ester
CAS Number:
147118-30-7
Molecular Formula:
C18H22FN3O4S
Molecular Weight:
395.4484
MDL Number:
MFCD12828196
IUPAC Name:
ethyl 4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidine-5-carboxylate
InChI:
InChI=1S/C18H22FN3O4S/c1-6-26-17(23)14-15(11(2)3)20-18(22(4)27(5,24)25)21-16(14)12-7-9-13(19)10-8-12/h7-11H,6H2,1-5H3
InChI Key:
TYISRAUZBAYPKG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(nc(nc1C(C)C)N(S(=O)(=O)C)C)c1ccc(cc1)F
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.449g/mol
Monoisotopic Mass:
395.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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