Basic information
- Standard SMILES
COc1cc(C(=O)N2Cc3ccccc3C3(Cc4ccccc4O3)C2)cc(OC)c1OC- InChIKey
BVDVNEFYATXQGU-UHFFFAOYSA-N- Molecular formula
- C26H25NO5
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- 2'-(3,4,5-Trimethoxybenzoyl)spiro[benzofuran-2(3H),4'(2'H)-isoquinoline]
- IUPAC
- spiro[1,3-dihydroisoquinoline-4,2'-3H-1-benzofuran]-2-yl-(3,4,5-trimethoxyphenyl)methanone
Names & synonyms
SCHEMBL11176302BVDVNEFYATXQGU-UHFFFAOYSA-N2'-(3,4,5-Trimethoxybenzoyl)spiro[benzofuran-2(3H),4'(2'H)-isoquinoline]
Database identifiers
- PubChem CID
- 15917455
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 659
Related reactions
4 records
Compound notes
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