Structure Info
- Chemspace ID
- CSMB00102835815 (Enamine MADE)
- CAS
- 2172568-92-0
- IUPAC Name
- tert-butyl 5-amino-8-fluoro-7-methyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
- Mol formula
- C15H21FN2O2
- Mol weight
- 280 Da
- Catalog Number(s)
- BBV-128029571, CSC102835815, EN300-1609850, FCH14820007
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.68
- Heavy atoms count
- 20
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.533
- Polar surface area (Å)
- 56
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00102835815
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