Basic information
- CAS
5522-72-5- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(C)=O)c(=O)n2C1c1ccccc1- InChIKey
MLEBHNZHOZEGNV-UHFFFAOYSA-N- Molecular formula
- C25H21BrN2O5S
- Average molar mass
- 541.4 g/mol
- Monoisotopic mass
- 540.03546
Names & identifiers
- Preferred name
- Ethyl 2-{[2-(acetyloxy)-5-bromophenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[(2-acetyloxy-5-bromophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Names & synonyms
5522-72-5CBMicro_022354ChemDiv1_000719Oprea1_481606Oprea1_562447DTXSID40385969Ethyl 2-{[2-(acetyloxy)-5-bromophenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
5522-72-5- PubChem CID
- 2849600
- DTXSID
DTXSID40385969
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 940
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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