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Oprea1_170272,STOCK2S-85819,ZINC00939656, [4-(phenylmethoxy)phenyl]-(4

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摘 要:Oprea1_170272,STOCK2S-85819,ZINC00939656, [4-(phenylmethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanethione,Canonical SMILES: C1CN(CCN1C2=CC=CC=C2)C(=S)C3=CC=C(C=C3)OCC4=CC=CC=C4,InChI: InChI=1/C24H24N2OS/c28-24(26-17-15-25(16-18-26)22-9-5-2-6-10-22)21
[Synonyms]
Oprea1_170272
STOCK2S-85819
ZINC00939656

[Structure]
Oprea1_170272,STOCK2S-85819,ZINC00939656, [4-(phenylmethoxy)phenyl]-(4

[ Properties Computed from Structure]
Molecular Weight388.52516 [g/mol]
Molecular FormulaC24H24N2OS
XLogP5.3
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count5
Exact Mass388.160934
MonoIsotopic Mass388.160934
Topological Polar Surface Area15.7
Heavy Atom Count28
Formal Charge0
Complexity471
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-(phenylmethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanethione
Canonical SMILES: C1CN(CCN1C2=CC=CC=C2)C(=S)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI: InChI=1/C24H24N2OS/c28-24(26-17-15-25(16-18-26)22-9-5-2-6-10-22)21-11-
13-23(14-12-21)27-19-20-7-3-1-4-8-20/h1-14H,15-19H2

 
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