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ZINC02625156,T5264223, 2-(1,,3-benzothiazol-2-ylsulfanyl)-N-[4-(dimeth

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摘 要:ZINC02625156,T5264223, 2-(1,,3-benzothiazol-2-ylsulfanyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide,Canonical SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3S2,InChI: InChI=1/C17H17N3O3S3/c1-20(2)26(22,,23)13-9-7-12(8-10-13)18-16(21)11-24-1
[Synonyms]
ZINC02625156
T5264223

[Structure]
ZINC02625156,T5264223, 2-(1,,3-benzothiazol-2-ylsulfanyl)-N-[4-(dimeth

[ Properties Computed from Structure]
Molecular Weight407.53018 [g/mol]
Molecular FormulaC17H17N3O3S3
XLogP1.9
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count2
Exact Mass407.043203
MonoIsotopic Mass407.043203
Topological Polar Surface Area79.4
Heavy Atom Count26
Formal Charge0
Complexity586
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-(1,
3-benzothiazol-2-ylsulfanyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
Canonical SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3S2
InChI: InChI=1/C17H17N3O3S3/c1-20(2)26(22,
23)13-9-7-12(8-10-13)18-16(21)11-24-17-19-14-5-3-4-6-15(14)25-17/h3-10H,
11H2,1-2H3,(H,18,21)/f/h18H

 
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