2,2'-Dithiobis(N-(2-(lauroxyloxy)propyl)benzamide)
Basic information
- CAS
78010-17-0- Standard SMILES
CCCCCCCCCCCC(=O)OC(C)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NCC(C)OC(=O)CCCCCCCCCCC- InChIKey
SXIYHHBAIJTCSX-UHFFFAOYSA-N- Molecular formula
- C44H68N2O6S2
- Average molar mass
- 785.2 g/mol
- Monoisotopic mass
- 784.45188024
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(N-(2-(lauroxyloxy)propyl)benzamide)
- IUPAC
- 1-[[2-[[2-(2-dodecanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propan-2-yl dodecanoate
Names & synonyms
78010-17-02,2'-Dithiobis(N-(2-(lauroxyloxy)propyl)benzamide)2,2'-Dithiobis[N-(2-(lauroxyloxy)propyl]benzamide]CHEMBL441042SCHEMBL10790792DTXSID009992682,2'-Disulfanediylbis{N-[2-(dodecanoyloxy)propyl]benzene-1-carboximidic acid}[2-[[2-[[2-(2-dodecanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]-1-methyl-ethyl] dodecanoate
Database identifiers
- CAS
78010-17-0- PubChem CID
- 457499
- DTXSID
DTXSID00999268- ChEMBL
CHEMBL441042
Properties
Computed structural properties
- XLogP
- 13.5
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 33
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 938
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Compound notes
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