Basic information
- CAS
6765-17-9- Standard SMILES
CCC=c1[nH]n(-c2ccccc2)c(=O)c1=Cc1cc(Br)c(O)c(OC)c1- InChIKey
JODKFYDGYBGHHJ-UHFFFAOYSA-N- Molecular formula
- C20H19BrN2O3
- Average molar mass
- 415.3 g/mol
- Monoisotopic mass
- 414.05791
Names & identifiers
- Preferred name
- 4-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-phenyl-5-propylidenepyrazolidin-3-one
- IUPAC
- 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-phenyl-5-propylidenepyrazolidin-3-one
Names & synonyms
6765-17-94-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-phenyl-5-propylidenepyrazolidin-3-oneDTXSID20411937
Database identifiers
- CAS
6765-17-9- PubChem CID
- 5233201
- DTXSID
DTXSID20411937
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 571
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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