Basic information
- Standard SMILES
CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC3(CC2)OCC(O[Si](C)(C)C(C)(C)C)CO3)c2ncnn12- InChIKey
AKCKOPCVAMOXKM-UHFFFAOYSA-N- Molecular formula
- C37H47N5O4Si
- Average molar mass
- 653.9 g/mol
Names & identifiers
- Preferred name
- 4'-{[4-(3-{[Tert-butyl(dimethyl)silyl]oxy}-1,5-dioxaspiro[5.5]undec-9-yl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
- IUPAC
- 2-[4-[[4-[3-[tert-butyl(dimethyl)silyl]oxy-1,5-dioxaspiro[5.5]undecan-9-yl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]benzonitrile
Names & synonyms
SCHEMBL1369804AKCKOPCVAMOXKM-UHFFFAOYSA-N4'-{[4-(3-{[tert-butyl(dimethyl)silyl]oxy}-1,5-dioxaspiro[5.5]undec-9-yl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 67008481
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
11 records
Compound notes
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