Ethyl 2-[(3-bromo-4-methylphenyl)methylene]-5-(4-fluorophenyl)-2,3-dihydro-3-oxo-7-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Basic information
- CAS
885963-52-0- Standard SMILES
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(C)c(Br)c3)c(=O)n2C1c1ccc(F)cc1- InChIKey
VTSVXLFSVKRTQI-UHFFFAOYSA-N- Molecular formula
- C29H22BrFN2O3S
- Average molar mass
- 577.5 g/mol
- Monoisotopic mass
- 576.05185
Names & identifiers
- Preferred name
- Ethyl 2-[(3-bromo-4-methylphenyl)methylene]-5-(4-fluorophenyl)-2,3-dihydro-3-oxo-7-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[(3-bromo-4-methylphenyl)methylidene]-5-(4-fluorophenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Names & synonyms
DTXSID801102201885963-52-0Ethyl 2-[(3-bromo-4-methylphenyl)methylene]-5-(4-fluorophenyl)-2,3-dihydro-3-oxo-7-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
885963-52-0- PubChem CID
- 165366702
- DTXSID
DTXSID801102201
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 984
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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