Structure Info
- Chemspace ID
- CSMB00025789363 (Enamine MADE)
- CAS
- 2137062-39-4
- MFCD
- MFCD30735264
- IUPAC Name
- tert-butyl (3S)-4-{5-[(chloromethoxy)carbonyl]pyridin-3-yl}-3-methylpiperazine-1-carboxylate
- Mol formula
- C17H24ClN3O4
- Mol weight
- 370 Da
- Catalog Number(s)
- BBV-118326962, CSC025789363, EN300-387229
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.64
- Heavy atoms count
- 25
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.588
- Polar surface area (Å)
- 72
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00025789363
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