Basic information
- Standard SMILES
Cc1ccccc1N1CNC(=O)C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2- InChIKey
DLMDVYVERIQTAQ-UHFFFAOYSA-N- Molecular formula
- C23H21F6N3O2
- Average molar mass
- 485.4 g/mol
Names & identifiers
- Preferred name
- 8-(3,5-Bis-trifluoromethyl-benzoyl)-1-o-tolyl-1,3,8-triaza-spiro[4.5]decan-4-one
- IUPAC
- 8-[3,5-bis(trifluoromethyl)benzoyl]-1-(2-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one
Names & synonyms
8-(3,5-bis-trifluoromethyl-benzoyl)-1-o-tolyl-1,3,8-triaza-spiro[4.5]decan-4-oneSCHEMBL55577788-(3,5-bis-trifluoromethyl-benzoyl)-1-o-tolyl -1,3,8-triaza-spiro[4.5]decan-4-one
Database identifiers
- PubChem CID
- 10163137
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 756
Related reactions
3 records
Compound notes
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