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(5R)-5-[(E)-1-[(4-fluorophenyl)methylamino]prop-1-enyl]-1-phenyl-1,,3

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摘 要: (5R)-5-[(E)-1-[(4-fluorophenyl)methylamino]prop-1-enyl]-1-phenyl-1,,3-diazinane-2,4,6-trione,Canonical SMILES: CC=C(C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)NCC3=CC=C(C=C3)F,Isomeric SMILES: C\C=C(/[C@@H]1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)\NCC3=CC=C(C=C3)F,InChI
[Synonyms]

[Structure]
 (5R)-5-[(E)-1-[(4-fluorophenyl)methylamino]prop-1-enyl]-1-phenyl-1,,3

[ Properties Computed from Structure]
Molecular Weight367.373623 [g/mol]
Molecular FormulaC20H18FN3O3
XLogP3.1
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count5
Tautomer Count6
Exact Mass367.13322
MonoIsotopic Mass367.13322
Topological Polar Surface Area78.5
Heavy Atom Count27
Formal Charge0
Complexity608
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (5R)-5-[(E)-1-[(4-fluorophenyl)methylamino]prop-1-enyl]-1-phenyl-1,
3-diazinane-2,4,6-trione
Canonical SMILES: CC=C(C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)NCC3=CC=C(C=C3)F
Isomeric SMILES: C\C=C(/[C@@H]1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)\NCC3=CC=C(C=C3)F
InChI: InChI=1/C20H18FN3O3/c1-2-16(22-12-13-8-10-14(21)11-9-13)17-18(25)23-20
(27)24(19(17)26)15-6-4-3-5-7-15/h2-11,17,22H,12H2,1H3,(H,23,25,
27)/b16-2+/t17-/m1/s1/f/h23H

 
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