Name: Name:5-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-, ethyl ester
Brand: Angene
SKU: AG001ELR
Rating: 90 (10 reviews)

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

CAS No.:

147118-30-7

Catalog Number:

AG001ELR

Molecular Formula:

C18H22FN3O4S

Molecular Weight:

395.4484

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

Complexity:

602

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

395.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

395.449g/mol

Monoisotopic Mass:

395.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8