tert-Butyl 4-(4-((4-(2-(1-carbamoylcyclobutyl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4C4(C(N)=O)CCC4)n3)cc2)CC1- InChIKey
WTEOXMKBZDNUAT-UHFFFAOYSA-N- Molecular formula
- C34H40F3N5O3
- Average molar mass
- 623.7 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-(4-((4-(2-(1-carbamoylcyclobutyl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[[4-[2-[2-(1-carbamoylcyclobutyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidine-1-carboxylate
Names & synonyms
tert-Butyl 4-(4-((4-(2-(1-carbamoylcyclobutyl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylateSCHEMBL15506722
Database identifiers
- PubChem CID
- 86712331
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,000
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Related reactions
2 records
Compound notes
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