Structure Info
- Chemspace ID
- CSMB00056170927 (Enamine MADE)
- IUPAC Name
- methyl 1-(4-amino-3-bromobenzoyl)piperidine-3-carboxylate
- Mol formula
- C14H17BrN2O3
- Mol weight
- 341 Da
- Catalog Number(s)
- BBV-103115354, CSC056170927, Z3131955975, s_240690____11689260____13574442
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.59
- Heavy atoms count
- 20
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.428
- Polar surface area (Å)
- 73
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00056170927
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