Basic information
- Standard SMILES
CCCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)n(C2CCC(=O)CC2)c2ncnn12- InChIKey
BESRWKGTTBYQIT-UHFFFAOYSA-N- Molecular formula
- C29H28FN5O2
- Average molar mass
- 497.6 g/mol
Names & identifiers
- Preferred name
- 4'-{[7-Butyl-5-oxo-4-(4-oxocyclohexyl)-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}-3'-fluorobiphenyl-2-carbonitrile
- IUPAC
- 2-[4-[[7-butyl-5-oxo-4-(4-oxocyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]-3-fluorophenyl]benzonitrile
Names & synonyms
SCHEMBL1372420BESRWKGTTBYQIT-UHFFFAOYSA-N4'-{[7-butyl-5-oxo-4-(4-oxocyclohexyl)-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}-3'-fluorobiphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 67009494
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 934
Related reactions
13 records
Compound notes
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