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Basic information
- Standard SMILES
CC(C)(C)OC(=O)C(F)c1ccc(Oc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c(C#N)c1- InChIKey
GIXUPNOAPIIPAD-UHFFFAOYSA-N- Molecular formula
- C28H26ClFN2O4
- Average molar mass
- 509 g/mol
- Monoisotopic mass
- 508.1565132
Names & identifiers
- Preferred name
- Tert-butyl 2-(4-(4-((4-chlorophenethyl)carbamoyl)phenoxy)-3-cyanophenyl)-2-fluoroacetate
- IUPAC
- tert-butyl 2-[4-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenoxy]-3-cyanophenyl]-2-fluoroacetate
Names & synonyms
SCHEMBL2985440GIXUPNOAPIIPAD-UHFFFAOYSA-Ntert-butyl 2-(4-(4-((4-chlorophenethyl)carbamoyl)phenoxy)-3-cyanophenyl)-2-fluoroacetate
Database identifiers
- PubChem CID
- 86643294
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 778
Related reactions
4 records
Compound notes
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