tert-Butyl 4-(4-((4-(2-(2-methoxy-2-oxoethyl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzyl)piperazine-1-carboxylate
Basic information
- Standard SMILES
COC(=O)Cc1ccccc1CCc1nc(Nc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)ncc1C(F)(F)F- InChIKey
IDVNAURNZJUGAF-UHFFFAOYSA-N- Molecular formula
- C32H38F3N5O4
- Average molar mass
- 613.7 g/mol
- Monoisotopic mass
- 613.2875892
Names & identifiers
- Preferred name
- tert-Butyl 4-(4-((4-(2-(2-methoxy-2-oxoethyl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate
Names & synonyms
tert-Butyl 4-(4-((4-(2-(2-methoxy-2-oxoethyl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzyl)piperazine-1-carboxylateSCHEMBL14643607
Database identifiers
- PubChem CID
- 71229652
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 917
Related reactions
4 records
Compound notes
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