Basic information
- Standard SMILES
Cc1cc(CC(=O)N2C[C@H](Cc3ccccc3)C[C@H]2C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)n[nH]1- InChIKey
KETZKAYVCCMESK-DFHRPNOPSA-N- Molecular formula
- C30H29FN4O3
- Average molar mass
- 512.6 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-4-benzyl-N-(4-(4-fluorophenoxy)phenyl)-1-(2-(5-methyl-1H-pyrazol-3-yl)acetyl)pyrrolidine-2-carboxamide
- IUPAC
- (2S,4R)-4-benzyl-N-[4-(4-fluorophenoxy)phenyl]-1-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide
Names & synonyms
SCHEMBL1372623KETZKAYVCCMESK-DFHRPNOPSA-N(2S,4R)-4-benzyl-N-(4-(4-fluorophenoxy)phenyl)-1-(2-(5-methyl-1H-pyrazol-3-yl)acetyl)pyrrolidine-2-carboxamide
Database identifiers
- PubChem CID
- 67009588
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 777
Related reactions
1 records
Compound notes
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