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T5291666 [2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl],2-[(2-methoxyb

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摘 要:T5291666 [2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl],2-[(2-methoxybenzoyl)amino]acetate,Canonical SMILES: COC1=CC=CC=C1C(=O)NCC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)F,InChI: InChI=1/C19H18FN3O6/c1-28-15-5-3-2-4-14(15)19(27)21-10-17(25)29-11-16,(24)22-23-
[Synonyms]
T5291666
[Structure]
T5291666 [2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl],2-[(2-methoxyb

[ Properties Computed from Structure]
Molecular Weight403.361123 [g/mol]
Molecular FormulaC19H18FN3O6
XLogP2
H-Bond Donor3
H-Bond Acceptor7
Rotatable Bond Count8
Tautomer Count8
Exact Mass403.117964
MonoIsotopic Mass403.117964
Topological Polar Surface Area123
Heavy Atom Count29
Formal Charge0
Complexity595
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]
2-[(2-methoxybenzoyl)amino]acetate
Canonical SMILES: COC1=CC=CC=C1C(=O)NCC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)F
InChI: InChI=1/C19H18FN3O6/c1-28-15-5-3-2-4-14(15)19(27)21-10-17(25)29-11-16
(24)22-23-18(26)12-6-8-13(20)9-7-12/h2-9H,10-11H2,1H3,(H,21,27)(H,22,
24)(H,23,26)/f/h21-23H

 
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