Basic information
- CAS
78010-19-2- Standard SMILES
O=C(NCCNCCO)c1ccccc1SSc1ccccc1C(=O)NCCNCCO- InChIKey
HOVVUGJDQVWCJV-UHFFFAOYSA-N- Molecular formula
- C22H30N4O4S2
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.1708478
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(N-(2-aminopentylhydroxy)benzamide))
- IUPAC
- N-[2-(2-hydroxyethylamino)ethyl]-2-[[2-[2-(2-hydroxyethylamino)ethylcarbamoyl]phenyl]disulfanyl]benzamide
Names & synonyms
2,2'-Dithiobis(N-(2-aminopentylhydroxy)benzamide))78010-19-2CHEMBL297013SCHEMBL10790274DTXSID90228670N-[2-(2-hydroxyethylamino)ethyl]-2-[[2-[2-(2-hydroxyethylamino)ethylcarbamoyl]phenyl]disulfanyl]benzamide2,2'-Dithiobis[N-(2- aminopentylhydroxy)benzamide)]2,2'-Disulfanediylbis(N-{2-[(2-hydroxyethyl)amino]ethyl}benzamide)
Database identifiers
- CAS
78010-19-2- PubChem CID
- 457488
- DTXSID
DTXSID90228670- ChEMBL
CHEMBL297013
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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