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Oprea1_162980,Oprea1_531387,MLS000573436,ZINC00880019,BAS 02809705,SMR

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摘 要:Oprea1_162980,Oprea1_531387,MLS000573436,ZINC00880019,BAS 02809705,SMR000194938,2-(benzylthio)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide,2-Benzylsulfanyl-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide, N-(4-morpholin-4-ylsulfonylphenyl)-2-(phenylm
[Synonyms]
Oprea1_162980
Oprea1_531387
MLS000573436
ZINC00880019
BAS 02809705
SMR000194938
2-(benzylthio)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
2-Benzylsulfanyl-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide

[Structure]
Oprea1_162980,Oprea1_531387,MLS000573436,ZINC00880019,BAS 02809705,SMR

[ Properties Computed from Structure]
Molecular Weight406.51898 [g/mol]
Molecular FormulaC19H22N2O4S2
XLogP1.9
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count7
Tautomer Count2
Exact Mass406.102099
MonoIsotopic Mass406.102099
Topological Polar Surface Area75.7
Heavy Atom Count27
Formal Charge0
Complexity559
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-(4-morpholin-4-ylsulfonylphenyl)-2-(phenylmethylsulfanyl)acetamide
Canonical SMILES: C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC=CC=C3
InChI: InChI=1/C19H22N2O4S2/c22-19(15-26-14-16-4-2-1-3-5-16)20-17-6-8-18(9-7-
17)27(23,24)21-10-12-25-13-11-21/h1-9H,10-15H2,(H,20,22)/f/h20H

 
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