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Oprea1_111855,Oprea1_463562,BAS 02811481,AG-690/15436273,2-[(2,6-Dimet

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摘 要:Oprea1_111855,Oprea1_463562,BAS 02811481,AG-690/15436273,2-[(2,6-Dimethyl-phenyl)-methanesulfonyl-amino]-N-(4-methoxy-benzyl)-acetamide, 2-[(2,,6-dimethylphenyl)-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl],acetamide,Canonical SMILES: CC1=C(C(=CC
[Synonyms]
Oprea1_111855
Oprea1_463562
BAS 02811481
AG-690/15436273
2-[(2,6-Dimethyl-phenyl)-methanesulfonyl-amino]-N-(4-methoxy-benzyl)-acetamide

[Structure]
Oprea1_111855,Oprea1_463562,BAS 02811481,AG-690/15436273,2-[(2,6-Dimet

[ Properties Computed from Structure]
Molecular Weight376.46986 [g/mol]
Molecular FormulaC19H24N2O4S
XLogP3.1
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count7
Tautomer Count2
Exact Mass376.145678
MonoIsotopic Mass376.145678
Topological Polar Surface Area75.7
Heavy Atom Count26
Formal Charge0
Complexity542
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,
6-dimethylphenyl)-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]
acetamide
Canonical SMILES: CC1=C(C(=CC=C1)C)N(CC(=O)NCC2=CC=C(C=C2)OC)S(=O)(=O)C
InChI: InChI=1/C19H24N2O4S/c1-14-6-5-7-15(2)19(14)21(26(4,
23)24)13-18(22)20-12-16-8-10-17(25-3)11-9-16/h5-11H,12-13H2,1-4H3,(H,20,
22)/f/h20H

 
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