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149981-35-1 | Benzamide, N-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-4-(trifluoromethyl)-
CAS No: 149981-35-1 Catalog No: AG001M6K MDL No:
Product Description
Catalog Number:
AG001M6K
Chemical Name:
Benzamide, N-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-4-(trifluoromethyl)-
CAS Number:
149981-35-1
Molecular Formula:
C14H13F3N4O3
Molecular Weight:
342.2732
IUPAC Name:
N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-(trifluoromethyl)benzamide
InChI:
InChI=1S/C14H13F3N4O3/c1-20-10(18)9(12(23)21(2)13(20)24)19-11(22)7-3-5-8(6-4-7)14(15,16)17/h3-6H,18H2,1-2H3,(H,19,22)
InChI Key:
HQMGSGYCOBADPF-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(F)(F)F)Nc1c(N)n(C)c(=O)n(c1=O)C
Properties
Complexity:
595
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:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.278g/mol
Monoisotopic Mass:
342.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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