Basic information
- CAS
97654-07-4- Standard SMILES
[N-]=[N+]=Nc1ccc(C(=O)NCCSSc2ccccn2)cc1- InChIKey
CBXHWNANYODAMB-UHFFFAOYSA-N- Molecular formula
- C14H13N5OS2
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.0561524
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-azidobenzoyl-2-mercapto-N-ethylamide-2'-thiopyridine disulfide
- IUPAC
- 4-azido-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide
- English name
- 4-azidobenzoyl-2-mercapto-N-ethylamide-2'-thiopyridine disulfide
- Molecular formula
- C14H13N5OS2
- Molecular weight
- 0
Names & synonyms
Abmeatpd97654-07-44-Azidobenzoyl-2-mercapto-N-ethylamide-2'-thiopyridine disulfideDTXSID90243101RefChem:97921DTXCID50165592Benzamide, 4-azido-N-(2-(2-pyridinyldithio)ethyl)-4-Azido-N-{2-[(pyridin-2-yl)disulfanyl]ethyl}benzamide4-azido-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide
Database identifiers
- CAS
97654-07-4- PubChem CID
- 3035751
- DTXSID
DTXSID90243101
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…