Basic information
- Standard SMILES
CCCCc1c(Cc2c(F)cc(-c3ccccc3C#N)cc2F)c(=O)[nH]c2ncnn12- InChIKey
WEDJSMCRXBAZGO-UHFFFAOYSA-N- Molecular formula
- C23H19F2N5O
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.15576657
Names & identifiers
- Preferred name
- 4'-[(7-Butyl-5-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-3',5'-difluorobiphenyl-2-carbonitrile
- IUPAC
- 2-[4-[(7-butyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-3,5-difluorophenyl]benzonitrile
Names & synonyms
SCHEMBL1373318WEDJSMCRXBAZGO-UHFFFAOYSA-N4'-[(7-butyl-5-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-3',5'-difluorobiphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 136337140
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 737
Related reactions
11 records
Compound notes
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