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149981-36-2 | Benzamide, N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-4-(trifluoromethyl)-
CAS No: 149981-36-2 Catalog No: AG001M6J MDL No:
Product Description
Catalog Number:
AG001M6J
Chemical Name:
Benzamide, N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-4-(trifluoromethyl)-
CAS Number:
149981-36-2
Molecular Formula:
C18H21F3N4O3
Molecular Weight:
398.3795
IUPAC Name:
N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
InChI:
InChI=1S/C18H21F3N4O3/c1-3-9-24-14(22)13(16(27)25(10-4-2)17(24)28)23-15(26)11-5-7-12(8-6-11)18(19,20)21/h5-8H,3-4,9-10,22H2,1-2H3,(H,23,26)
InChI Key:
QVFVUMFWSMIXJC-UHFFFAOYSA-N
SMILES:
CCCn1c(N)c(NC(=O)c2ccc(cc2)C(F)(F)F)c(=O)n(c1=O)CCC
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.157g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.386g/mol
Monoisotopic Mass:
398.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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