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3,5-dimethoxy-N-[(3-{1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl}phenyl)carbamothioyl]benzamide

HCID 5205089
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Basic information

CAS
4550-62-3
Standard SMILES
COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)c1
InChIKey
ABIQKKGFYFBREU-UHFFFAOYSA-N
Molecular formula
C22H15F13N2O5S
Average molar mass
666.4 g/mol
Monoisotopic mass
666.0494089

Names & identifiers

Preferred name
3,5-dimethoxy-N-[(3-{1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl}phenyl)carbamothioyl]benzamide
IUPAC
3,5-dimethoxy-N-[[3-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]phenyl]carbamothioyl]benzamide

Names & synonyms

STK2521243,5-dimethoxy-N-[(3-{1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl}phenyl)carbamothioyl]benzamide4550-62-3DTXSID10409808AKOS003925234ST50863922(3,5-dimethoxyphenyl)-N-{[(3-{1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3- (trifluoromethoxy)propoxy]ethyl}phenyl)amino]thioxomethyl}carboxamide

Database identifiers

CAS
4550-62-3
PubChem CID
5205089
DTXSID
DTXSID10409808

Properties

Computed structural properties

XLogP
7.8
Topological polar surface area
110 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
19
Rotatable bonds
11
Heavy atoms
43
Formal charge
0
Complexity
974

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