Basic information
- CAS
339994-88-6- Standard SMILES
COc1ccc(OC(C)=O)c(C=NNC(=O)C(C)Oc2ccccc2Br)c1- InChIKey
YSZIXRNSEKDEML-UHFFFAOYSA-N- Molecular formula
- C19H19BrN2O5
- Average molar mass
- 435.3 g/mol
- Monoisotopic mass
- 434.04773
Names & identifiers
- Preferred name
- 2-(2-Bromophenoxy)propanoic acid 2-[[2-(acetyloxy)-5-methoxyphenyl]methylene]hydrazide
- IUPAC
- [2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate
- English name
- 2-{2-[2-(2-bromophenoxy)propanoyl]carbohydrazonoyl}-4-methoxyphenyl acetate
- Molecular formula
- C19H19BrN2O5
- Molecular weight
- 435.26856
Names & synonyms
GNF-Pf-2666CHEMBL5792882-({2-[2-(2-Bromophenoxy)propanoyl]hydrazinylidene}methyl)-4-methoxyphenyl acetateDTXSID9011268342-(2-Bromophenoxy)propanoic acid 2-[[2-(acetyloxy)-5-methoxyphenyl]methylene]hydrazide339994-88-62-{2-[2-(2-bromophenoxy)propanoyl]carbohydrazonoyl}-4-methoxyphenyl acetate
Database identifiers
- CAS
339994-88-6- PubChem CID
- 3977922
- DTXSID
DTXSID901126834- ChEMBL
CHEMBL579288
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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