2,2'-Dithiobis(N-(7-hydroxynaphth-1-yl)benzamide)
Basic information
- CAS
98051-80-0- Standard SMILES
O=C(Nc1cccc2ccc(O)cc12)c1ccccc1SSc1ccccc1C(=O)Nc1cccc2ccc(O)cc12- InChIKey
YPERVNZZJBFBQS-UHFFFAOYSA-N- Molecular formula
- C34H24N2O4S2
- Average molar mass
- 588.7 g/mol
- Monoisotopic mass
- 588.1177496
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(N-(7-hydroxynaphth-1-yl)benzamide)
- IUPAC
- N-(7-hydroxynaphthalen-1-yl)-2-[[2-[(7-hydroxynaphthalen-1-yl)carbamoyl]phenyl]disulfanyl]benzamide
Names & synonyms
2,2'-Dithiobis(N-(7-hydroxynaphth-1-yl)benzamide)98051-80-02,2'-Dithiobis[N-(7-hydroxynaphth-1-yl)benzamide]CHEMBL51359DTXSID002433942,2'-Disulfanediylbis[N-(7-hydroxynaphthalen-1-yl)benzamide]N-(7-hydroxy-1-naphthyl)-2-[[2-[(7-hydroxy-1-naphthyl)carbamoyl]phenyl]disulfanyl]benzamide
Database identifiers
- CAS
98051-80-0- PubChem CID
- 457480
- DTXSID
DTXSID00243394- ChEMBL
CHEMBL51359
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
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Compound notes
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