N-[3,5-bis(trifluoromethyl)phenyl]-2-[[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]disulfanyl]benzamide

HCID 465352

Basic information

CAS
177786-20-8
Standard SMILES
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1SSc1ccccc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
CXHMSESVHOAWJC-UHFFFAOYSA-N
Molecular formula
C30H16F12N2O2S2
Average molar mass
728.6 g/mol
Monoisotopic mass
728.04615839

Names & identifiers

Preferred name
N-[3,5-bis(trifluoromethyl)phenyl]-2-[[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]disulfanyl]benzamide
IUPAC
N-[3,5-bis(trifluoromethyl)phenyl]-2-[[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]disulfanyl]benzamide

Names & synonyms

N-[3,5-bis(trifluoromethyl)phenyl]-2-[[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]disulfanyl]benzamide2,2'-Dithiobis(N-(3,5-bis(trifluoromethyl)phenyl)benzamide)2,2'-Dithiobis[N-[3,5-bis(trifluoromethyl)phenyl]benzamide]2,2'-Dithiobis{N-[3,5-bis(trifluoromethyl)phenyl]benzamide}SCHEMBL8375967DTXSID801032074177786-20-82,2'-Dithiobis[N-[3,5-bis(trifluoromethyl)phenyl]-benzamide]

Database identifiers

CAS
177786-20-8
PubChem CID
465352
DTXSID
DTXSID801032074

Properties

Computed structural properties

XLogP
9.2
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
16
Rotatable bonds
7
Heavy atoms
48

Related reactions

3 records

Compound notes

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