Basic information
- CAS
98064-09-6- Standard SMILES
O=C(NCC1CCNCC1)c1ccccc1SSc1ccccc1C(=O)NCC1CCNCC1- InChIKey
BAYQOIMFEVCLFD-UHFFFAOYSA-N- Molecular formula
- C26H34N4O2S2
- Average molar mass
- 498.7 g/mol
- Monoisotopic mass
- 498.21231869
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(N-(4-piperidinylmethyl)benzamide)
- IUPAC
- N-(piperidin-4-ylmethyl)-2-[[2-(piperidin-4-ylmethylcarbamoyl)phenyl]disulfanyl]benzamide
Names & synonyms
2,2'-Dithiobis(N-(4-piperidinylmethyl)benzamide)98064-09-62,2'-Dithiobis[N-(4-piperidinylmethyl)benzamide]CHEMBL1193542DTXSID602434112,2'-Disulfanediylbis{N-[(piperidin-4-yl)methyl]benzamide}N-(4-piperidylmethyl)-2-[[2-(4-piperidylmethylcarbamoyl)phenyl]disulfanyl]benzamide
Database identifiers
- CAS
98064-09-6- PubChem CID
- 457463
- DTXSID
DTXSID60243411- ChEMBL
CHEMBL1193542
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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