Basic information
- Standard SMILES
O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccc(F)cc2F)CN1C(=O)Cn1nccn1- InChIKey
LELYILUFPXSDFV-DWXRJYCRSA-N- Molecular formula
- C28H24F3N5O3
- Average molar mass
- 535.5 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-1-(2-(2H-1,2,3-triazol-2-yl)acetyl)-4-(2,4-difluorobenzyl)-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide
- IUPAC
- (2S,4R)-4-[(2,4-difluorophenyl)methyl]-N-[4-(4-fluorophenoxy)phenyl]-1-[2-(triazol-2-yl)acetyl]pyrrolidine-2-carboxamide
Names & synonyms
SCHEMBL1371493LELYILUFPXSDFV-DWXRJYCRSA-N(2S,4R)-1-(2-(2H-1,2,3-triazol-2-yl)acetyl)-4-(2,4-difluorobenzyl)-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide
Database identifiers
- PubChem CID
- 45377017
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 818
Related reactions
1 records
Compound notes
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