Structure Info
- Chemspace ID
- CSCS00026703754 (Synthesis)
- CAS
- 42352-87-4
- IUPAC Name
- 4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
- Mol formula
- C17H13Br2N3O2
- Mol weight
- 451 Da
- Catalog Number(s)
- CSC026703754, Z56762980
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.33
- Heavy atoms count
- 24
- Rotatable bond count
- 2
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.117
- Polar surface area (Å)
- 53
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS00026703754
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