Basic information
- Standard SMILES
CS(=O)(=O)N(CCOc1ccc(C#N)cc1)CCN1CC2CN(Cc3ccccc3C#N)CC(C1)O2- InChIKey
YKYOSDNCVRXWSU-UHFFFAOYSA-N- Molecular formula
- C26H31N5O4S
- Average molar mass
- 509.6 g/mol
- Monoisotopic mass
- 509.20967566
Names & identifiers
- Preferred name
- N-{2-[7-(2-Cyano-benzyl)-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl]-ethyl}-N-[2-(4-cyano-phenoxy)-ethyl]-methanesulfonamide
- IUPAC
- N-[2-(4-cyanophenoxy)ethyl]-N-[2-[7-[(2-cyanophenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]methanesulfonamide
Names & synonyms
SCHEMBL4515716YKYOSDNCVRXWSU-UHFFFAOYSA-NN-{2-[7-(2-Cyano-benzyl)-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl]-ethyl}-N-[2-(4-cyano-phenoxy)-ethyl]-methane sulfonamideN-{2-[7-(2-Cyano-benzyl)-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl]-ethyl}-N-[2-(4-cyano-phenoxy)-ethyl]-methanesulfonamide
Database identifiers
- PubChem CID
- 11691965
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 900
Related reactions
1 records
Compound notes
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