ethyl 2-(methylsulfanyl)-4-[4-(trifluoromethyl)anilino]-5-pyrimidinecarboxylate


Chemical Name: ethyl 2-(methylsulfanyl)-4-[4-(trifluoromethyl)anilino]-5-pyrimidinecarboxylate
CAS Number: 339019-43-1
Product Number: AG00IQLX(AGN-PC-0WAW25)
Synonyms:
MDL No: MFCD01444032
Molecular Formula: C15H14F3N3O2S
Molecular Weight: 357.3508

Identification/Properties


Computed Properties
Molecular Weight:
357.351g/mol
XLogP3:
4.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
6
Exact Mass:
357.076g/mol
Monoisotopic Mass:
357.076g/mol
Topological Polar Surface Area:
89.4A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
417
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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