Basic information
- Standard SMILES
Cc1noc(-c2cn(CCCN3C[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)C3)c(=O)[nH]c2=O)n1- InChIKey
YQJDSRWANLGZJA-HRAATJIYSA-N- Molecular formula
- C22H22F3N5O3
- Average molar mass
- 461.4 g/mol
Names & identifiers
- Preferred name
- 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(3-{(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione
Names & synonyms
5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(3-{(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-2,4(1H,3H)-pyrimidinedioneSCHEMBL2745466
Database identifiers
- PubChem CID
- 25253294
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 829
Related reactions
2 records
Compound notes
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