Basic information
- Standard SMILES
O=C(c1ccccc1)n1c(=O)c(-c2cccnc2F)cn(CCCCCl)c1=O- InChIKey
NQYHHFYFXLDCEV-UHFFFAOYSA-N- Molecular formula
- C20H17ClFN3O3
- Average molar mass
- 401.8 g/mol
Names & identifiers
- Preferred name
- 3-Benzoyl-1-(4-chloro-butyl)-5-(2-fluoro-pyridin-3-yl)-1H-pyrimidine-2,4-dione
- IUPAC
- 3-benzoyl-1-(4-chlorobutyl)-5-(2-fluoro-3-pyridinyl)pyrimidine-2,4-dione
Names & synonyms
SCHEMBL3560943NQYHHFYFXLDCEV-UHFFFAOYSA-N3-Benzoyl-1-(4-chloro-butyl)-5-(2-fluoro-pyridin-3-yl)-1H-pyrimidine-2, 4-dione3-Benzoyl-1-(4-chloro-butyl)-5-(2-fluoro-pyridin-3-yl)-1H-pyrimidine-2,4-dione
Database identifiers
- PubChem CID
- 45117829
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 636
Related reactions
3 records
Linked notes
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