(2-{2-[(2R)-2-carbamoylmethyl-4-(4-fluoro-benzyl)-piperazin-1-yl]-2-oxo-ethoxy}-5-chloro-phenoxy)-acetic Acid tert-butyl Ester
Basic information
- Standard SMILES
CC(C)(C)OC(=O)COc1cc(Cl)ccc1OCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1CC(N)=O- InChIKey
SHDXYGITCZQZAD-OAQYLSRUSA-N- Molecular formula
- C27H33ClFN3O6
- Average molar mass
- 550 g/mol
- Monoisotopic mass
- 549.2041916
Names & identifiers
- Preferred name
- (2-{2-[(2R)-2-carbamoylmethyl-4-(4-fluoro-benzyl)-piperazin-1-yl]-2-oxo-ethoxy}-5-chloro-phenoxy)-acetic Acid tert-butyl Ester
- IUPAC
- tert-butyl 2-[2-[2-[(2R)-2-(2-amino-2-oxoethyl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-5-chlorophenoxy]acetate
Names & synonyms
SCHEMBL6078449SHDXYGITCZQZAD-OAQYLSRUSA-N(2-{2-[(2R)-2-carbamoylmethyl-4-(4-fluoro-benzyl)-piperazin-1-yl]-2-oxo-ethoxy}-5-chloro-phenoxy)-acetic Acid tert-butyl Ester
Database identifiers
- PubChem CID
- 69656159
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 804
Related reactions
2 records
Compound notes
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