Structure Info
- Chemspace ID
- CSMB00025789355 (Enamine MADE)
- CAS
- 2137994-22-8
- MFCD
- MFCD30735256
- IUPAC Name
- 2-tert-butyl 8-chloromethyl 5-amino-1,2,3,4-tetrahydroisoquinoline-2,8-dicarboxylate
- Mol formula
- C16H21ClN2O4
- Mol weight
- 341 Da
- Catalog Number(s)
- BBV-110012734, CSC025789355, EN300-387221, FCH9172928
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.64
- Heavy atoms count
- 23
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 82
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00025789355
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