2,2'-Dithiobis(N-(2-(lauroxyloxy)ethyl)benzamide)
Basic information
- CAS
78010-13-6- Standard SMILES
CCCCCCCCCCCC(=O)OCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCOC(=O)CCCCCCCCCCC- InChIKey
ZLIMUOAAUHDOIU-UHFFFAOYSA-N- Molecular formula
- C42H64N2O6S2
- Average molar mass
- 757.1 g/mol
- Monoisotopic mass
- 756.42058011
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(N-(2-(lauroxyloxy)ethyl)benzamide)
- IUPAC
- 2-[[2-[[2-(2-dodecanoyloxyethylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]ethyl dodecanoate
Names & synonyms
2,2'-Dithiobis(N-(2-(lauroxyloxy)ethyl)benzamide)78010-13-62,2'-Dithiobis[N-(2-(lauroxyloxy)ethyl]benzamide]CHEMBL48191SCHEMBL10793851DTXSID002286662-[[2-[[2-(2-dodecanoyloxyethylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]ethyl dodecanoate({[Disulfanediylbis(2,1-phenylene)carbonyl]azanediyl}ethane-2,1-diyl) didodecanoate
Database identifiers
- CAS
78010-13-6- PubChem CID
- 457501
- DTXSID
DTXSID00228666- ChEMBL
CHEMBL48191
Properties
Computed structural properties
- XLogP
- 12.7
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 33
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 879
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Compound notes
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