Structure Info
- Chemspace ID
- CSMB20271238378 (Enamine MADE)
- IUPAC Name
- 4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-4-carboxylate
- Mol formula
- C15H6Cl4F3N3O5
- Mol weight
- 507 Da
- Catalog Number(s)
- EN300-51794913
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.12
- Heavy atoms count
- 30
- Rotatable bond count
- 6
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.2
- Polar surface area (Å)
- 91
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB20271238378
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