Basic information
- Standard SMILES
COC(=O)c1cccc(C#Cc2nc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)ncc2C(F)(F)F)c1- InChIKey
KIDGJGLXVBAXIE-UHFFFAOYSA-N- Molecular formula
- C30H30F3N5O4
- Average molar mass
- 581.6 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-(4-((4-((3-(methoxycarbonyl)phenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[[4-[2-(3-methoxycarbonylphenyl)ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate
Names & synonyms
tert-Butyl 4-(4-((4-((3-(methoxycarbonyl)phenyl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperazine-1-carboxylateSCHEMBL14644046
Database identifiers
- PubChem CID
- 71229923
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 990
Related reactions
4 records
Compound notes
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