Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CN1CC[C@@]2(CC[C@H](c3cc(-c4cccc(OC(F)(F)F)c4)ccn3)N2)C1=O- InChIKey
PQMSYXWLWIWNLV-APWZRJJASA-N- Molecular formula
- C20H20F3N3O2
- Average molar mass
- 391.4 g/mol
Names & identifiers
- Preferred name
- (2R,5S)-7-methyl-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridyl]-1,7-diazaspiro[4.4]nonan-6-one
- IUPAC
- (2R,5S)-7-methyl-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
Names & synonyms
CHEMBL3341998SCHEMBL15057802BDBM50497938PD190501(2R,5S)-7-methyl-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridyl]-1,7-diazaspiro[4.4]nonan-6-one(2R,5S)-7-methyl-2-[4-[3-(trifluoromethoxy)phenyl]pyridin-2-yl]-1,7-diazaspiro[4.4]nonan-6-one
Database identifiers
- PubChem CID
- 71583000
- ChEMBL
CHEMBL3341998
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 588
Related reactions
2 records
Compound notes
Loading…