Basic information
- Standard SMILES
O=c1[nH]c(=O)n(CCCN2CC3CC3(c3ccc(C(F)(F)F)cc3)C2)cc1-c1ccc(Cl)nc1- InChIKey
VOJOJFSLTVDUMH-UHFFFAOYSA-N- Molecular formula
- C24H22ClF3N4O2
- Average molar mass
- 490.9 g/mol
- Monoisotopic mass
- 490.1383381
Names & identifiers
- Preferred name
- 5-(6-Chloro-3-pyridinyl)-1-[3-[1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione
- IUPAC
- 5-(6-chloro-3-pyridinyl)-1-[3-[1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione
Names & synonyms
SCHEMBL4879464
Database identifiers
- PubChem CID
- 87741920
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 845
Related reactions
1 records
Compound notes
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