6-butyl-2-[2-(2,5-difluoro-phenyl)-ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCCc1cnc2nc(COCCc3cc(F)ccc3F)[nH]c(=O)c2c1- InChIKey
HLTIHKLVIWITLJ-UHFFFAOYSA-N- Molecular formula
- C20H21F2N3O2
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.16018325
Names & identifiers
- Preferred name
- 6-butyl-2-[2-(2,5-difluoro-phenyl)-ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
- IUPAC
- 6-butyl-2-[2-(2,5-difluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
Names & synonyms
SCHEMBL1871957HLTIHKLVIWITLJ-UHFFFAOYSA-N6-butyl-2-[2-(2,5-difluoro-phenyl)-ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
Database identifiers
- PubChem CID
- 136368401
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 531
Related reactions
1 records
Compound notes
Loading…