Free Chemical Databases
-
[Synonyms]
NSC699990
NCI60_035872
[Structure]
[ Properties Computed from Structure]
Molecular Weight 367.347266 [g/mol] Molecular Formula C17H19F2N3O4 XLogP 0 H-Bond Donor 0 H-Bond Acceptor 6 Rotatable Bond Count 4 Exact Mass 367.134363 MonoIsotopic Mass 367.134363 Topological Polar Surface Area 78 Heavy Atom Count 26 Formal Charge 0 Complexity 593 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,
N-dimethyl-3-phenylpropanamide
Canonical SMILES: CN1C(=O)C(C(=O)N(C1=O)C)C(C2=CC=CC=C2)C(C(=O)N(C)C)(F)F
InChI: InChI=1/C17H19F2N3O4/c1-20(2)15(25)17(18,
19)12(10-8-6-5-7-9-10)11-13(23)21(3)16(26)22(4)14(11)24/h5-9,11-12H,
1-4H3
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