Basic information
- Standard SMILES
COC(=O)C(C)c1ccccc1CCc1nc(Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)ncc1C(F)(F)F- InChIKey
KVJTXXSUVYZRRX-UHFFFAOYSA-N- Molecular formula
- C33H39F3N4O4
- Average molar mass
- 612.7 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(4-((4-(2-(1-methoxy-1-oxopropan-2-yl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[[4-[2-[2-(1-methoxy-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidine-1-carboxylate
Names & synonyms
tert-butyl 4-(4-((4-(2-(1-methoxy-1-oxopropan-2-yl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylateSCHEMBL14576968
Database identifiers
- PubChem CID
- 71209279
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 929
Related reactions
3 records
Compound notes
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