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Oprea1_310791,Oprea1_814809,ZINC00880113,BAS 02810480, N-(2-methoxy-5-

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摘 要:Oprea1_310791,Oprea1_814809,ZINC00880113,BAS 02810480, N-(2-methoxy-5-methylphenyl)-2-[(2-methoxy-5-methylphenyl)-,phenylsulfonylamino]acetamide,Canonical SMILES: CC1=CC(=C(C=C1)OC)NC(=O)CN(C2=C(C=CC(=C2)C)OC)S(=O)(=O)C3=CC=CC=C3,InChI: InChI=1/C24H2
[Synonyms]
Oprea1_310791
Oprea1_814809
ZINC00880113
BAS 02810480

[Structure]
Oprea1_310791,Oprea1_814809,ZINC00880113,BAS 02810480, N-(2-methoxy-5-

[ Properties Computed from Structure]
Molecular Weight454.53864 [g/mol]
Molecular FormulaC24H26N2O5S
XLogP4.7
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count8
Tautomer Count2
Exact Mass454.156243
MonoIsotopic Mass454.156243
Topological Polar Surface Area84.9
Heavy Atom Count32
Formal Charge0
Complexity704
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: N-(2-methoxy-5-methylphenyl)-2-[(2-methoxy-5-methylphenyl)-
phenylsulfonylamino]acetamide
Canonical SMILES: CC1=CC(=C(C=C1)OC)NC(=O)CN(C2=C(C=CC(=C2)C)OC)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1/C24H26N2O5S/c1-17-10-12-22(30-3)20(14-17)25-24(27)16-26(21-15-18
(2)11-13-23(21)31-4)32(28,29)19-8-6-5-7-9-19/h5-15H,16H2,1-4H3,(H,25,
27)/f/h25H

 
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