Basic information
- Standard SMILES
CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(Oc3ccc(O[Si](C)(C)C(C)(C)C)cc3)CC2)c2ncnn12- InChIKey
YWFANIQEYDJESH-UHFFFAOYSA-N- Molecular formula
- C40H47N5O3Si
- Average molar mass
- 673.9 g/mol
- Monoisotopic mass
- 673.34481691
Names & identifiers
- Preferred name
- 4'-({4-[cis-4-(4-{[Tert-butyl(dimethyl)silyl]oxy}phenoxy)cyclohexyl]-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-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]cyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]benzonitrile
Names & synonyms
SCHEMBL1370227SCHEMBL1370230SCHEMBL1371917YWFANIQEYDJESH-MEKGRNQZSA-NYWFANIQEYDJESH-UEOVJWFCSA-N4'-({4-[cis-4-(4-{[tert-butyl(dimethyl)silyl]oxy}phenoxy)cyclohexyl]-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile4'-({4-[trans-4-(4-{[tert-butyl(dimethyl)silyl]oxy}phenoxy)cyclohexyl]-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
- 67008646
Properties
Computed structural properties
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
1 records
Compound notes
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