Basic information
- Standard SMILES
Cc1c(N2CCN(Cc3ccc(C(F)(F)F)o3)CC2)c(=O)n(C[C@H](N)c2ccccc2O)c(=O)n1Cc1c(F)cccc1C(F)(F)F- InChIKey
YPFREUJKSNJOBU-DEOSSOPVSA-N- Molecular formula
- C31H30F7N5O4
- Average molar mass
- 669.6 g/mol
Names & identifiers
- Preferred name
- 3-[(R)-2-amino-2-(2-hydroxy-phenyl)-ethyl]-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-5-[4-(5-trifluoromethyl-furan-2-ylmethyl)-piperazin-1-yl]-1H-pyrimidine-2,4-dione
- IUPAC
- 3-[(2R)-2-amino-2-(2-hydroxyphenyl)ethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-5-[4-[[5-(trifluoromethyl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine-2,4-dione
Names & synonyms
3-[(R)-2-amino-2-(2-hydroxy-phenyl)-ethyl]-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-5-[4-(5-trifluoromethyl-furan-2-ylmethyl)-piperazin-1-yl]-1H-pyrimidine-2,4-dioneSCHEMBL1738679
Database identifiers
- PubChem CID
- 87285382
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
1 records
Compound notes
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