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ZINC00881335 (2R)-2-methoxy-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl

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摘 要:ZINC00881335 (2R)-2-methoxy-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide,Canonical SMILES: COC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3,Isomeric SMILES: CO[C@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3,InChI: InChI=1/C20H24N2O
[Synonyms]
ZINC00881335
[Structure]
ZINC00881335 (2R)-2-methoxy-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl

[ Properties Computed from Structure]
Molecular Weight388.48056 [g/mol]
Molecular FormulaC20H24N2O4S
XLogP2.3
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count2
Exact Mass388.145678
MonoIsotopic Mass388.145678
Topological Polar Surface Area75.7
Heavy Atom Count27
Formal Charge0
Complexity569
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2R)-2-methoxy-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
Canonical SMILES: COC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3
Isomeric SMILES: CO[C@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3
InChI: InChI=1/C20H24N2O4S/c1-26-19(16-8-4-2-5-9-16)20(23)21-17-10-12-18(13-11-
17)27(24,25)22-14-6-3-7-15-22/h2,4-5,8-13,19H,3,6-7,14-15H2,1H3,(H,21,
23)/t19-/m1/s1/f/h21H

 
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