Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate
Basic information
- CAS
944652-73-7- Standard SMILES
CCOC(=O)c1ccc(N=C2SC(=Cc3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)C(=O)N2C)cc1- InChIKey
OAHSKWQZEVSBOR-UHFFFAOYSA-N- Molecular formula
- C28H24BrFN2O5S
- Average molar mass
- 599.5 g/mol
- Monoisotopic mass
- 598.05733
Names & identifiers
- Preferred name
- Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate
- IUPAC
- ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
Names & synonyms
DTXSID601103184944652-73-7Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate
Database identifiers
- CAS
944652-73-7- PubChem CID
- 4765062
- DTXSID
DTXSID601103184
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 896
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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