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Oprea1_097573,ZINC01159569,EU-0016760, 4-(2-fluorophenyl)-N-[2-(3-prop

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摘 要:Oprea1_097573,ZINC01159569,EU-0016760, 4-(2-fluorophenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-,1-carboxamide,Canonical SMILES: CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCN(CC2)C3=CC=CC=C3F,InChI: InChI=1/C23H28FN3O/c1-17(2)18-8-7-9-19(16-18)
[Synonyms]
Oprea1_097573
ZINC01159569
EU-0016760

[Structure]
Oprea1_097573,ZINC01159569,EU-0016760, 4-(2-fluorophenyl)-N-[2-(3-prop

[ Properties Computed from Structure]
Molecular Weight381.486323 [g/mol]
Molecular FormulaC23H28FN3O
XLogP5.1
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count2
Exact Mass381.221641
MonoIsotopic Mass381.221641
Topological Polar Surface Area35.6
Heavy Atom Count28
Formal Charge0
Complexity556
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: 4-(2-fluorophenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-
1-carboxamide
Canonical SMILES: CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCN(CC2)C3=CC=CC=C3F
InChI: InChI=1/C23H28FN3O/c1-17(2)18-8-7-9-19(16-18)23(3,
4)25-22(28)27-14-12-26(13-15-27)21-11-6-5-10-20(21)24/h5-11,16H,1,
12-15H2,2-4H3,(H,25,28)/f/h25H

 
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