Structure Info
- Chemspace ID
- CSMB00102697681 (Enamine MADE)
- CAS
- 2138042-65-4
- IUPAC Name
- 2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}-6-(trifluoromethyl)pyridine-3-carboxylic acid
- Mol formula
- C16H20F3N3O4
- Mol weight
- 375 Da
- Catalog Number(s)
- BBV-118346264, CSC102697681, EN300-1137541
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.13
- Heavy atoms count
- 26
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.562
- Polar surface area (Å)
- 83
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00102697681
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