Basic information
- CAS
827584-44-1- Standard SMILES
COc1cc(C=NNC(=O)C(=O)NCC(C)C)cc(Br)c1OCC(=O)Nc1ccc(Br)cc1- InChIKey
VZBIGNDKRLNVFC-UHFFFAOYSA-N- Molecular formula
- C22H24Br2N4O5
- Average molar mass
- 584.3 g/mol
- Monoisotopic mass
- 582.01135
Names & identifiers
- Preferred name
- N'-[[3-bromo-4-[2-(4-bromoanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylpropyl)oxamide
- IUPAC
- N'-[[3-bromo-4-[2-(4-bromoanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(2-methylpropyl)oxamide
Database identifiers
- CAS
827584-44-1- PubChem CID
- 3940372
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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