Structure Info
- Chemspace ID
- CSCS06744504874 (Synthesis)
- IUPAC Name
- 3-(5-bromofuran-2-yl)-1-[6,7-dimethoxy-1-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-yl]prop-2-en-1-one
- Mol formula
- C22H20BrNO4S
- Mol weight
- 474 Da
- Catalog Number(s)
- Z27288240
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.45
- Heavy atoms count
- 29
- Rotatable bond count
- 5
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.227
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS06744504874
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