Basic information
- Standard SMILES
COc1ccc(CCC2(C3CCCC3)CC(=O)C(C(=O)Cc3cccnc3)C(=O)O2)c(OC)c1- InChIKey
HJFGFOPZXOPDSO-UHFFFAOYSA-N- Molecular formula
- C27H31NO6
- Average molar mass
- 465.5 g/mol
Names & identifiers
- Preferred name
- 6-Cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(3-pyridyl)acetyl]tetrahydropyran-2,4-dione
- IUPAC
- 6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylacetyl)oxane-2,4-dione
Names & synonyms
SCHEMBL58808852H-Pyran-2,4(3H)-dione, 6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]dihydro-3-(3-pyridinylacetyl)-6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(3-pyridyl)acetyl]tetrahydropyran-2,4-dione
Database identifiers
- PubChem CID
- 16728844
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 735
Related reactions
1 records
Compound notes
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