Basic information
- Standard SMILES
Cl.Cl.O=c1[nH]c(=O)n(CCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)cc1-c1cc(Cl)cnc1F- InChIKey
WSCBDLSXKFUQSO-ZSZFDUOMSA-N- Molecular formula
- C24H23Cl3F4N4O2
- Average molar mass
- 581.8 g/mol
Names & identifiers
- Preferred name
- 5-(5-chloro-2-fluoro-3-pyridinyl)-1-(3-{(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-2,4(1H,3H)-pyrimidinedione dihydrochloride
- IUPAC
- 5-(5-chloro-2-fluoro-3-pyridinyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione;dihydrochloride
Names & synonyms
5-(5-chloro-2-fluoro-3-pyridinyl)-1-(3-{(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-2,4(1H,3H)-pyrimidinedione dihydrochlorideSCHEMBL3561204
Database identifiers
- PubChem CID
- 86615960
Properties
Computed structural properties
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 878
Related reactions
2 records
Compound notes
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