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
- Formal charge
- 0
- Complexity
- 972
Related reactions
3 records
Compound notes
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