Basic information
- Standard SMILES
CCCCc1nc(C)n(-c2ccc(OC3CCOC(C)C3)cc2)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1- InChIKey
WSSFHYUXFVKGPD-UHFFFAOYSA-N- Molecular formula
- C36H38N4O5
- Average molar mass
- 606.7 g/mol
- Monoisotopic mass
- 606.28422033
Names & identifiers
- Preferred name
- 6-butyl-2-methyl-3-{4-[(2-methyltetrahydro-2H-pyran-4-yl)oxy]phenyl}-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}pyrimidin-4(3H)-one
- IUPAC
- 3-[2-[4-[[4-butyl-2-methyl-1-[4-(2-methyloxan-4-yl)oxyphenyl]-6-oxopyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
Names & synonyms
SCHEMBL1896669WSSFHYUXFVKGPD-UHFFFAOYSA-N6-butyl-2-methyl-3-{4-[(2-methyltetrahydro-2H-pyran-4-yl)oxy]phenyl}-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}pyrimidin-4(3H)-one
Database identifiers
- PubChem CID
- 136146715
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
3 records
Compound notes
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