Basic information
- Standard SMILES
O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccccc2)CN1C(=O)Cn1cncn1- InChIKey
PLUJPPMSHJDKIV-RLWLMLJZSA-N- Molecular formula
- C28H26FN5O3
- Average molar mass
- 499.5 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-1-(2-(1H-1,2,4-triazol-1-yl)acetyl)-4-benzyl-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide
- IUPAC
- (2S,4R)-4-benzyl-N-[4-(4-fluorophenoxy)phenyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-2-carboxamide
Names & synonyms
CHEMBL2018484SCHEMBL1373685PLUJPPMSHJDKIV-RLWLMLJZSA-NBDBM50380410(2S,4R)-1-(2-(1H-1,2,4-triazol-1-yl)acetyl)-4-benzyl-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide
Database identifiers
- PubChem CID
- 45378010
- ChEMBL
CHEMBL2018484
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 750
Related reactions
1 records
Compound notes
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