Structure Info
- Chemspace ID
- CSMB00015200980 (Enamine MADE)
- CAS
- 374563-95-8
- MFCD
- MFCD16653062
- IUPAC Name
- 1-(bromomethyl)-2-methanesulfonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
- Mol formula
- C13H18BrNO4S
- Mol weight
- 364 Da
- Catalog Number(s)
- B134791, BBV-32218643, CS-0302357, CSC015200980, CUR-0137248, EN300-236896, HY-W239921, JH876778, LN01257841
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.27
- Heavy atoms count
- 20
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.538
- Polar surface area (Å)
- 56
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00015200980
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