Structure Info
- Chemspace ID
- CSCS00104146813 (Synthesis)
- IUPAC Name
- methyl 2-{2-[(5-bromothiophen-2-yl)sulfonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
- Mol formula
- C18H20BrNO6S2
- Mol weight
- 490 Da
- Catalog Number(s)
- CSC104146813, CSCR00573043019, FCG45871044, Z45481303, s_40____80538____79424
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.28
- Heavy atoms count
- 28
- Rotatable bond count
- 6
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.388
- Polar surface area (Å)
- 82
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS00104146813
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