Basic information
- Standard SMILES
Nc1nc(C(F)(F)F)nn1CC(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1- InChIKey
AQVVUDPEMPUVEX-DVECYGJZSA-N- Molecular formula
- C29H26F4N6O3
- Average molar mass
- 582.5 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-1-(2-(5-amino-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl)acetyl)-4-benzyl-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide
- IUPAC
- (2S,4R)-1-[2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetyl]-4-benzyl-N-[4-(4-fluorophenoxy)phenyl]pyrrolidine-2-carboxamide
Names & synonyms
(2S,4R)-1-(2-(5-amino-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl)acetyl)-4-benzyl-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamideSCHEMBL1372175
Database identifiers
- PubChem CID
- 67009377
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 906
Related reactions
1 records
Compound notes
Loading…