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190954-81-5 | Urea, N-(4,6-dimethoxy-2-pyrimidinyl)-N'-[3-(trifluoromethyl)phenyl]-
CAS No: 190954-81-5 Catalog No: AG002EX8 MDL No:
Product Description
Catalog Number:
AG002EX8
Chemical Name:
Urea, N-(4,6-dimethoxy-2-pyrimidinyl)-N'-[3-(trifluoromethyl)phenyl]-
CAS Number:
190954-81-5
Molecular Formula:
C14H13F3N4O3
Molecular Weight:
342.2732
IUPAC Name:
1-(4,6-dimethoxypyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
InChI:
InChI=1S/C14H13F3N4O3/c1-23-10-7-11(24-2)20-12(19-10)21-13(22)18-9-5-3-4-8(6-9)14(15,16)17/h3-7H,1-2H3,(H2,18,19,20,21,22)
InChI Key:
OMGRQDVVMYEKLC-UHFFFAOYSA-N
SMILES:
COc1nc(NC(=O)Nc2cccc(c2)C(F)(F)F)nc(c1)OC
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.094g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.278g/mol
Monoisotopic Mass:
342.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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