Basic information
- CAS
67171-88-4- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCCCCCCCCCCC(=O)N(CCC#N)CCC2)cc1- InChIKey
DKDKYGGCPQKQOR-UHFFFAOYSA-N- Molecular formula
- C25H39N3O3S
- Average molar mass
- 461.7 g/mol
- Monoisotopic mass
- 461.27121329
Names & identifiers
- Preferred name
- 3-[5-(4-Methylphenyl)sulfonyl-17-oxo-1,5-diazacycloheptadec-1-yl]propanenitrile
- IUPAC
- 3-[5-(4-methylphenyl)sulfonyl-17-oxo-1,5-diazacycloheptadec-1-yl]propanenitrile
- English name
- 13-Aza-13-tosyl-16-[(2-cyanoethyl)amino]hexadecanoic acid lactam
- Molecular formula
- C25H39N3O3S
- Molecular weight
- 461.66
Names & synonyms
13-Aza-13-tosyl-16-[(2-cyanoethyl)amino]hexadecanoic acid lactam1,5-Diazacycloheptadecane-1-propanenitrile, 5-[(4-methylphenyl)sulfonyl]-17-oxo-
Database identifiers
- CAS
67171-88-4- PubChem CID
- 12415832
- Nikkaji
- J144.533B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 687
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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