3-(Hydroxymethylene)-1'-[4-methoxy-3-(trifluoromethyl)-benzoyl]spiro[chromane-2,4'-piperidine]-4-one
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Basic information
- Standard SMILES
COc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2C(=O)C3=CO)cc1C(F)(F)F- InChIKey
PTEWTFWNSKLZKG-UHFFFAOYSA-N- Molecular formula
- C23H20F3NO5
- Average molar mass
- 447.4 g/mol
Names & identifiers
- Preferred name
- 3-(Hydroxymethylene)-1'-[4-methoxy-3-(trifluoromethyl)-benzoyl]spiro[chromane-2,4'-piperidine]-4-one
- IUPAC
- 3-(hydroxymethylidene)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]spiro[chromene-2,4'-piperidine]-4-one
Names & synonyms
3-(hydroxymethylene)-1'-[4-methoxy-3-(trifluoromethyl)-benzoyl]spiro[chromane-2,4'-piperidine]-4-oneSCHEMBL14919035
Database identifiers
- PubChem CID
- 76828016
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 759
Related reactions
3 records
Compound notes
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