Basic information
- Standard SMILES
Cc1ccc(C(F)(F)F)c(C(=O)N2CCC(Nc3ccnc(-c4ccccc4)n3)C2)c1- InChIKey
HFICONIREZNQTA-UHFFFAOYSA-N- Molecular formula
- C23H21F3N4O
- Average molar mass
- 426.4 g/mol
Names & identifiers
- Preferred name
- [5-Methyl-2-(trifluoromethyl)phenyl]-[3-[(2-phenylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone
- IUPAC
- [5-methyl-2-(trifluoromethyl)phenyl]-[3-[(2-phenylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone
Names & synonyms
SCHEMBL3655739
Database identifiers
- PubChem CID
- 68731530
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 610
Related reactions
1 records
Compound notes
Loading…