Basic information
- Standard SMILES
Cc1ccccc1N1CN(CCN2CCCC2)C(=O)C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2- InChIKey
RMMSKRJTNQSAIE-UHFFFAOYSA-N- Molecular formula
- C29H32F6N4O2
- Average molar mass
- 582.6 g/mol
- Monoisotopic mass
- 582.24294525
Names & identifiers
- Preferred name
- 8-(3,5-Bis-trifluoromethyl-benzoyl)-3-(2-pyrrolidin-1-yl-ethyl)-1-o-tolyl-1,3,8-triaza-spiro[4.5]decan-4-one
- IUPAC
- 8-[3,5-bis(trifluoromethyl)benzoyl]-1-(2-methylphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3,8-triazaspiro[4.5]decan-4-one
Names & synonyms
8-(3,5-Bis-trifluoromethyl-benzoyl)-3-(2-pyrrolidin-1-yl-ethyl)-1-o-tolyl-1,3,8-triaza-spiro[4.5]decan-4-oneSCHEMBL5557322L021061
Database identifiers
- PubChem CID
- 10121035
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 923
Related reactions
2 records
Compound notes
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