9-{2-Methoxy-5-[6-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)pyridin-2-yl]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Basic information
- Standard SMILES
COc1ccc(-c2cccc(-c3noc(=O)[nH]3)n2)cc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2- InChIKey
UPPCDNPIPUTHIW-UHFFFAOYSA-N- Molecular formula
- C31H31N3O6
- Average molar mass
- 541.6 g/mol
Names & identifiers
- Preferred name
- 9-{2-Methoxy-5-[6-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)pyridin-2-yl]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
- IUPAC
- 9-[2-methoxy-5-[6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-pyridinyl]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Names & synonyms
SCHEMBL16241167UPPCDNPIPUTHIW-UHFFFAOYSA-N9-{2-Methoxy-5-[6-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)pyridin-2-yl]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Database identifiers
- PubChem CID
- 137014752
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
1 records
Compound notes
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