Basic information
- CAS
885956-84-3- Standard SMILES
CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=Nc1cccc(C(=O)O)c1- InChIKey
JTIVYZCQCXQGBP-UHFFFAOYSA-N- Molecular formula
- C25H18BrN3O6S
- Average molar mass
- 568.4 g/mol
- Monoisotopic mass
- 567.00997
Names & identifiers
- Preferred name
- 3-[[5-[[5-Bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid
- IUPAC
- 3-[[5-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Names & synonyms
DTXSID4011070613-[[5-[[5-Bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid885956-84-3
Database identifiers
- CAS
885956-84-3- PubChem CID
- 4772018
- DTXSID
DTXSID401107061
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 901
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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