Basic information
- Standard SMILES
CC(C)CC1(c2ccccc2)OC(=O)C2=C1CN(C(=O)[C@H]1Cc3ccc(O)cc3CN1)CC2- InChIKey
LVOASPWHZFOEGZ-DXDQHDRFSA-N- Molecular formula
- C27H30N2O4
- Average molar mass
- 446.5 g/mol
Names & identifiers
- Preferred name
- 5-((R)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-3-isobutyl-3-phenyl-4,5,6,7-tetrahydrofuro[3,4-c]pyridin-1(3H)-one
- IUPAC
- 5-[(3R)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3-(2-methylpropyl)-3-phenyl-6,7-dihydro-4H-furo[3,4-c]pyridin-1-one
Names & synonyms
SCHEMBL15013737SCHEMBL15030632LVOASPWHZFOEGZ-DXDQHDRFSA-N5-((R)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-3-isobutyl-3-phenyl-4,5,6,7-tetrahydrofuro[3,4-c]pyridin-1(3H)-one
Database identifiers
- PubChem CID
- 89615861
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 802
Related reactions
1 records
Compound notes
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