2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide)
Basic information
- CAS
98051-90-2- Standard SMILES
CCOC(=O)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NCC(=O)OCC- InChIKey
NJKSDRWYJVZSBD-UHFFFAOYSA-N- Molecular formula
- C22H24N2O6S2
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.10757884
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide)
- IUPAC
- ethyl 2-[[2-[[2-[(2-ethoxy-2-oxoethyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]acetate
Names & synonyms
2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide)98051-90-22,2'-Dithiobis[N-(ethoxycarbonyl)methyl]benzamide]CHEMBL295910DTXSID30243403Diethyl 2,2'-[disulfanediylbis(2,1-phenylenecarbonylazanediyl)]diacetateethyl 2-[[2-[[2-[(2-ethoxy-2-oxo-ethyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]acetate
Database identifiers
- CAS
98051-90-2- PubChem CID
- 457520
- DTXSID
DTXSID30243403- ChEMBL
CHEMBL295910
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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