Basic information
- Standard SMILES
CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(-c2ccsc2)c2ncnn12- InChIKey
QQJMTLWUKOQAPH-UHFFFAOYSA-N- Molecular formula
- C26H21N5OS
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.14668148
Names & identifiers
- Preferred name
- 4'-[(5-Oxo-7-propyl-4-thiophen-3-yl-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-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzonitrile
Names & synonyms
SCHEMBL1370101QQJMTLWUKOQAPH-UHFFFAOYSA-N4'-[(5-oxo-7-propyl-4-thiophen-3-yl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrile4'-{[5-oxo-7-propyl-4-(thiophen-3-yl)-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 67008602
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 798
Related reactions
11 records
Compound notes
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