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Oprea1_604090,STK031209, (2,6-dimethoxyphenyl)-[4-(phenylmethyl)pipera

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摘 要:Oprea1_604090,STK031209, (2,6-dimethoxyphenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone,Canonical SMILES: COC1=C(C(=CC=C1)OC)C(=O)N2CCN(CC2)CC3=CC=CC=C3,InChI: InChI=1/C20H24N2O3/c1-24-17-9-6-10-18(25-2)19(17)20(23)22-13-11-21(12-,14-22)15-16-7-4-3-
[Synonyms]
Oprea1_604090
STK031209

[Structure]
Oprea1_604090,STK031209, (2,6-dimethoxyphenyl)-[4-(phenylmethyl)pipera

[ Properties Computed from Structure]
Molecular Weight340.41616 [g/mol]
Molecular FormulaC20H24N2O3
XLogP2.8
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count5
Exact Mass340.178693
MonoIsotopic Mass340.178693
Topological Polar Surface Area42
Heavy Atom Count25
Formal Charge0
Complexity405
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: (2,6-dimethoxyphenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone
Canonical SMILES: COC1=C(C(=CC=C1)OC)C(=O)N2CCN(CC2)CC3=CC=CC=C3
InChI: InChI=1/C20H24N2O3/c1-24-17-9-6-10-18(25-2)19(17)20(23)22-13-11-21(12-
14-22)15-16-7-4-3-5-8-16/h3-10H,11-15H2,1-2H3

 
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