4'-({5-Oxo-7-propyl-4-[trans-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(OCC(C)(O)C(F)(F)F)CC2)c2ncnn12- InChIKey
IDSNFDHXKBTBOH-UHFFFAOYSA-N- Molecular formula
- C32H34F3N5O3
- Average molar mass
- 593.6 g/mol
Names & identifiers
- Preferred name
- 4'-({5-Oxo-7-propyl-4-[trans-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile
- IUPAC
- 2-[4-[[5-oxo-7-propyl-4-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]benzonitrile
Names & synonyms
4'-({5-oxo-7-propyl-4-[trans-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrileSCHEMBL1371939SCHEMBL1371943IDSNFDHXKBTBOH-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 67009263
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
1 records
Compound notes
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