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Basic information
- Standard SMILES
CCCc1nc(CC)c(-c2ccc(OC(C)(C)CO)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1F- InChIKey
FDZYUVDXFYXBCR-UHFFFAOYSA-N- Molecular formula
- C34H35FN4O5
- Average molar mass
- 598.7 g/mol
- Monoisotopic mass
- 598.25914839
Names & identifiers
- Preferred name
- 6-ethyl-3-{[3-fluoro-2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-5-[4-(2-hydroxy-1,1-dimethylethoxy)phenyl]-2-propylpyrimidin-4(3H)-one
- IUPAC
- 3-[2-[4-[[4-ethyl-5-[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-oxo-2-propylpyrimidin-1-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
Names & synonyms
SCHEMBL1897378SCHEMBL12349267FDZYUVDXFYXBCR-UHFFFAOYSA-N6-ethyl-3-{[3-fluoro-2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-5-[4-(2-hydroxy-1,1-dimethylethoxy)phenyl]-2-propylpyrimidin-4(3H)-one
Database identifiers
- PubChem CID
- 136146830
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
2 records
Compound notes
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