Structure Info
- Chemspace ID
- CSMB00025789599 (Enamine MADE)
- CAS
- 2137844-81-4
- MFCD
- MFCD30735388
- IUPAC Name
- 1-tert-butyl 4-chloromethyl 6-bromo-1,2,3,4-tetrahydroquinoline-1,4-dicarboxylate
- Mol formula
- C16H19BrClNO4
- Mol weight
- 405 Da
- Catalog Number(s)
- BBV-110016517, CSC025789599, EN300-387354, FCH9179861
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.98
- Heavy atoms count
- 23
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 56
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00025789599
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