Basic information
- CAS
936648-35-0- Standard SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(NC(=O)C(F)(F)F)cc1O2- InChIKey
ONUYWFPDLYBWRP-UHFFFAOYSA-N- Molecular formula
- C20H23F3N2O5
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.15590632
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 3,4-dihydro-4-oxo-7-[(2,2,2-trifluoroacetyl)amino]spiro[2H-1-benzopyran-2,4a(2)-piperidine]-1a(2)-carboxylate
- IUPAC
- tert-butyl 4-oxo-7-[(2,2,2-trifluoroacetyl)amino]spiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
Names & synonyms
DTXSID4011047861,1-Dimethylethyl 3,4-dihydro-4-oxo-7-[(2,2,2-trifluoroacetyl)amino]spiro[2H-1-benzopyran-2,4a(2)-piperidine]-1a(2)-carboxylate936648-35-0
Database identifiers
- CAS
936648-35-0- PubChem CID
- 165367017
- DTXSID
DTXSID401104786
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 696
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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