Basic information
- Standard SMILES
COC(=O)Cc1ccccc1C#Cc1nc(Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ncc1C(F)(F)F- InChIKey
BGYPLZYIVIUSKI-UHFFFAOYSA-N- Molecular formula
- C31H32F3N5O4
- Average molar mass
- 595.6 g/mol
- Monoisotopic mass
- 595.24063901
Names & identifiers
- Preferred name
- tert-Butyl 4-(4-((4-((2-(2-methoxy-2-oxoethyl)phenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate
Names & synonyms
tert-Butyl 4-(4-((4-((2-(2-methoxy-2-oxoethyl)phenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperazine-1-carboxylateSCHEMBL14644047
Database identifiers
- PubChem CID
- 71229924
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
4 records
Compound notes
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