Basic information
- Standard SMILES
COC(=O)C1(CN2CCC(COc3noc4cccc(OC5CCOCC5)c34)CC2)CCOCC1- InChIKey
PJASTXAOJQFCSV-UHFFFAOYSA-N- Molecular formula
- C26H36N2O7
- Average molar mass
- 488.6 g/mol
Names & identifiers
- Preferred name
- Methyl 4-{[4-({[4-(tetrahydro-2H-pyran-4-yloxy)-1,2-benzisoxazol-3-yl]oxy}methyl)piperidin-1-yl]methyl}tetrahydro-2H-pyran-4-carboxylate
- IUPAC
- methyl 4-[[4-[[4-(oxan-4-yloxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxane-4-carboxylate
Names & synonyms
SCHEMBL5112825PJASTXAOJQFCSV-UHFFFAOYSA-NMethyl 4-{[4-({[4-(tetrahydro-2H-pyran-4-yloxy)-1,2-benzisoxazol-3-yl]oxy}methyl)piperidin-1-yl]methyl}tetrahydro-2H-pyran-4-carboxylate
Database identifiers
- PubChem CID
- 69315992
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 675
Related reactions
1 records
Compound notes
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