3-[[5-[[3-Bromo-4-[(4-bromophenyl)methoxy]phenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid
Basic information
- CAS
885966-34-7- Standard SMILES
CN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)SC1=Nc1cccc(C(=O)O)c1- InChIKey
LLVSSBWOVSZWFA-UHFFFAOYSA-N- Molecular formula
- C25H18Br2N2O4S
- Average molar mass
- 602.3 g/mol
- Monoisotopic mass
- 599.9354
Names & identifiers
- Preferred name
- 3-[[5-[[3-Bromo-4-[(4-bromophenyl)methoxy]phenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid
- IUPAC
- 3-[[5-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Names & synonyms
DTXSID5011069613-[[5-[[3-Bromo-4-[(4-bromophenyl)methoxy]phenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid885966-34-7
Database identifiers
- CAS
885966-34-7- PubChem CID
- 165367274
- DTXSID
DTXSID501106961
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 815
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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