Basic information
- Standard SMILES
N#C[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)N(C(=O)Cn2cncn2)C1- InChIKey
HXDDMSDQPLTGNF-YWZLYKJASA-N- Molecular formula
- C22H19FN6O3
- Average molar mass
- 434.4 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-1-(2-(1H-1,2,4-triazol-1-yl)acetyl)-4-cyano-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide
- IUPAC
- (2S,4R)-4-cyano-N-[4-(4-fluorophenoxy)phenyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-2-carboxamide
Names & synonyms
SCHEMBL1373856HXDDMSDQPLTGNF-YWZLYKJASA-N(2S,4R)-1-(2-(1H-1,2,4-triazol-1-yl)acetyl)-4-cyano-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide
Database identifiers
- PubChem CID
- 67010058
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 714
Related reactions
2 records
Compound notes
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