Basic information
- Standard SMILES
Cl.O=c1[nH]c(=O)n(CCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3F)C2)cc1-c1cccs1- InChIKey
GFIUYLUKNLIVBF-XKZCJYRQSA-N- Molecular formula
- C23H22ClF4N3O2S
- Average molar mass
- 516 g/mol
Names & identifiers
- Preferred name
- 1-(3-{(1S,5R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-5-(2-thienyl)-2,4(1H,3H)-pyrimidinedione hydrochloride
- IUPAC
- 1-[3-[(1S,5R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]-5-thiophen-2-ylpyrimidine-2,4-dione;hydrochloride
Names & synonyms
1-(3-{(1S,5R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-5-(2-thienyl)-2,4(1H,3H)-pyrimidinedione hydrochlorideSCHEMBL3570084
Database identifiers
- PubChem CID
- 68696136
Properties
Computed structural properties
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 837
Related reactions
1 records
Compound notes
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