Structure Info
- Chemspace ID
- CSMB00160574070 (Enamine MADE)
- CAS
- 2411178-65-7
- MFCD
- MFCD32662478
- IUPAC Name
- 2-[(3S)-4-[2-(2,6-dichlorophenyl)acetyl]-3-methylpiperazin-1-yl]pyridine-3-carboxylic acid
- Mol formula
- C19H19Cl2N3O3
- Mol weight
- 408 Da
- Catalog Number(s)
- CSC160574070, EN300-1707909
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.94
- Heavy atoms count
- 27
- Rotatable bond count
- 4
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.315
- Polar surface area (Å)
- 74
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00160574070
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