Basic information
- CAS
5796-43-0- Standard SMILES
COc1ccc(C(=O)NCC(=O)NN=Cc2cccc(OC(=O)c3cccc(Br)c3)c2)cc1OC- InChIKey
GKVMJIZPVLPAHD-UHFFFAOYSA-N- Molecular formula
- C25H22BrN3O6
- Average molar mass
- 540.4 g/mol
- Monoisotopic mass
- 539.0692
Names & identifiers
- Preferred name
- [3-[[[2-[(3,4-Dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
- IUPAC
- [3-[[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Names & synonyms
5796-43-03-({2-[(3,4-Dimethoxybenzamido)acetyl]hydrazinylidene}methyl)phenyl 3-bromobenzoate[3-[[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoateDTXSID30409880
Database identifiers
- CAS
5796-43-0- PubChem CID
- 5206331
- DTXSID
DTXSID30409880
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 751
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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