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102587-85-9 | Benzamide, N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-4-[(2,2,2-trifluoroacetyl)amino]-
CAS No: 102587-85-9 Catalog No: AG0007U5 MDL No:
Product Description
Catalog Number:
AG0007U5
Chemical Name:
Benzamide, N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-4-[(2,2,2-trifluoroacetyl)amino]-
CAS Number:
102587-85-9
Molecular Formula:
C19H22F3N5O4
Molecular Weight:
441.4043
IUPAC Name:
N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-4-[(2,2,2-trifluoroacetyl)amino]benzamide
InChI:
InChI=1S/C19H22F3N5O4/c1-3-9-26-14(23)13(16(29)27(10-4-2)18(26)31)25-15(28)11-5-7-12(8-6-11)24-17(30)19(20,21)22/h5-8H,3-4,9-10,23H2,1-2H3,(H,24,30)(H,25,28)
InChI Key:
MOAJZSHYWMAAGI-UHFFFAOYSA-N
SMILES:
CCCn1c(N)c(NC(=O)c2ccc(cc2)NC(=O)C(F)(F)F)c(=O)n(c1=O)CCC
Properties
Complexity:
760
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.162g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
441.411g/mol
Monoisotopic Mass:
441.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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