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Basic information
- Standard SMILES
Cc1c([C@@H](O)CN2CCN(CC(O)c3ccc4c(c3)C[C@@H](C)OC4=O)CC2)ccc2c1COC2=O- InChIKey
XXHJEMFFGVIBHN-BZHOPDMWSA-N- Molecular formula
- C27H32N2O6
- Average molar mass
- 480.6 g/mol
Names & identifiers
- Preferred name
- (3R)-6-(1-hydroxy-2-{4-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydro-2-benzofuran-5-yl)ethyl]piperazin-1-yl}ethyl)-3-methyl-3,4-dihydro-1H-isochromen-1-one
- IUPAC
- (3R)-6-[1-hydroxy-2-[4-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3-methyl-3,4-dihydroisochromen-1-one
Names & synonyms
SCHEMBL14932259XXHJEMFFGVIBHN-BZHOPDMWSA-N(3R)-6-(1-hydroxy-2-{4-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydro-2-benzofuran-5-yl)ethyl]piperazin-1-yl}ethyl)-3-methyl-3,4-dihydro-1H-isochromen-1-one
Database identifiers
- PubChem CID
- 89554233
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 771
Related reactions
1 records
Compound notes
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