Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](C#N)C[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1- InChIKey
BIBSALTYRFWPHF-YWZLYKJASA-N- Molecular formula
- C23H24FN3O4
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.17508442
Names & identifiers
- Preferred name
- (2S,4R)-tert-butyl 4-cyano-2-(4-(4-fluorophenoxy)phenylcarbamoyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2S,4R)-4-cyano-2-[[4-(4-fluorophenoxy)phenyl]carbamoyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL1372124BIBSALTYRFWPHF-YWZLYKJASA-N(2S,4R)-tert-butyl 4-cyano-2-(4-(4-fluorophenoxy)phenylcarbamoyl)pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 67009351
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 685
Related reactions
2 records
Compound notes
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