AK-968/37055112
Basic information
- CAS
5659-88-1- Standard SMILES
COc1cc(/C=C2\Sc3ccccc3C2=O)cc(OC)c1O- InChIKey
QAVXFCTWAOCJHX-DHDCSXOGSA-N- Molecular formula
- C17H14O4S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.0612801
Names & identifiers
- Preferred name
- AK-968/37055112
- IUPAC
- (2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-benzothiophen-3-one
Names & synonyms
5659-88-1DTXSID60357002AK-968/37055112RefChem:317917DTXCID303080612-(4-hydroxy-3,5-dimethoxybenzylidene)-1-benzothiophen-3(2H)-one(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-benzothiophen-3-oneBIM-0027179.P001SR-01000216187SR-01000216187-1(2Z)-2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]-1-benzothiophen-3(2H)-one354543-78-5
Database identifiers
- CAS
5659-88-1- PubChem CID
- 839991
- DTXSID
DTXSID60357002
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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