3-Benzoyl-1-(4-chloro-butyl)-5-(2-fluoro-pyridin-3-yl)-1H-pyrimidine-2,4-dione

HCID 45117829

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

Related reactions

3 records

Linked notes

Loading…