Basic information
- Standard SMILES
CCCc1c(Cc2ccc(-c3ccccc3C#N)c(C)c2)c(=O)n(C2CCC(=O)CC2)c2nc(C)nn12- InChIKey
OBLWKVFKDMFPAR-UHFFFAOYSA-N- Molecular formula
- C30H31N5O2
- Average molar mass
- 493.6 g/mol
Names & identifiers
- Preferred name
- 2'-Methyl-4'-{[2-methyl-5-oxo-4-(4-oxocyclohexyl)-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
- IUPAC
- 2-[2-methyl-4-[[2-methyl-5-oxo-4-(4-oxocyclohexyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]benzonitrile
Names & synonyms
SCHEMBL1372660OBLWKVFKDMFPAR-UHFFFAOYSA-N2'-methyl-4'-{[2-methyl-5-oxo-4-(4-oxocyclohexyl)-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 67009608
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 943
Related reactions
12 records
Compound notes
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