Basic information
- Standard SMILES
CCCCc1nc(C)n(Cc2cc(C)n(C)n2)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1.Cl- InChIKey
IQJDKUQKMWAKSA-UHFFFAOYSA-N- Molecular formula
- C30H33ClN6O3
- Average molar mass
- 561.1 g/mol
Names & identifiers
- Preferred name
- 6-butyl-3-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}pyrimidin-4(3H)-one hydrochloride
- IUPAC
- 3-[2-[4-[[4-butyl-1-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-oxopyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
Names & synonyms
SCHEMBL1895997IQJDKUQKMWAKSA-UHFFFAOYSA-N6-butyl-3-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}pyrimidin-4(3H)-one hydrochloride
Database identifiers
- PubChem CID
- 136331125
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
2 records
Compound notes
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