Basic information
- CAS
98051-81-1- Standard SMILES
O=C(Nc1cc2ccccc2cc1O)c1ccccc1SSc1ccccc1C(=O)Nc1cc2ccccc2cc1O- InChIKey
XNYMKGXYUZSUNB-UHFFFAOYSA-N- Molecular formula
- C34H24N2O4S2
- Average molar mass
- 588.7 g/mol
- Monoisotopic mass
- 588.1177496
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(N-(3-hydroxynaphth-2-yl)benzamide)
- IUPAC
- N-(3-hydroxynaphthalen-2-yl)-2-[[2-[(3-hydroxynaphthalen-2-yl)carbamoyl]phenyl]disulfanyl]benzamide
Names & synonyms
98051-81-12,2'-Dithiobis(N-(3-hydroxynaphth-2-yl)benzamide)2,2'-Dithiobis[N-(3-hydroxynaphth-2-yl)benzamide]CHEMBL298280DTXSID602433952,2'-Disulfanediylbis[N-(3-hydroxynaphthalen-2-yl)benzamide]N-(3-hydroxy-2-naphthyl)-2-[[2-[(3-hydroxy-2-naphthyl)carbamoyl]phenyl]disulfanyl]benzamide
Database identifiers
- CAS
98051-81-1- PubChem CID
- 457481
- DTXSID
DTXSID60243395- ChEMBL
CHEMBL298280
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 850
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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