Basic information
- Standard SMILES
CCOC(=O)C12CCC(NCC(=O)N3CC(F)CC3C#N)(CC1)CC2- InChIKey
AKFNKZFJBFQFAA-UHFFFAOYSA-N- Molecular formula
- C18H26FN3O3
- Average molar mass
- 351.4 g/mol
Names & identifiers
- Preferred name
- 2-[(4-Ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl-4-fluoropyrrolidine-2-carbonitrile
- IUPAC
- ethyl 4-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylate
Names & synonyms
SCHEMBL164320AKFNKZFJBFQFAA-UHFFFAOYSA-N2-[(4-ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl-4-fluoropyrrolidine-2-carbonitrile
Database identifiers
- PubChem CID
- 23149694
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 575
Related reactions
13 records
Linked notes
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