2-(4-Bromophenyl)-2-oxoethyl 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxo-3-pyrrolidinecarboxylate
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Basic information
- CAS
774550-23-1- Standard SMILES
Cc1sc(N2CC(C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)nc1-c1ccccc1- InChIKey
QBKGNQMYLFCJEK-UHFFFAOYSA-N- Molecular formula
- C23H19BrN2O4S
- Average molar mass
- 499.4 g/mol
- Monoisotopic mass
- 498.02489
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-2-oxoethyl 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxo-3-pyrrolidinecarboxylate
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
- English name
- 2-(4-bromophenyl)-2-oxoethyl 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxo-3-pyrrolidinecarboxylate
- Molecular formula
- C23H19BrN2O4S
- Molecular weight
- 499.38
Names & synonyms
2-(4-bromophenyl)-2-oxoethyl 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxo-3-pyrrolidinecarboxylate2-(4-bromophenyl)-2-oxoethyl 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylateSTK265170AKOS003348752AKOS022070976NCGC00289408-01AB01284574-01AK-918/43210353[2-(4-bromophenyl)-2-oxoethyl] 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxylate3-Pyrrolidinecarboxylic acid, 1-(5-methyl-4-phenyl-2-thiazolyl)-5-oxo-, 2-(4-bromophenyl)-2-oxoethyl ester
Database identifiers
- CAS
774550-23-1- PubChem CID
- 11837832
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 678
Physicochemical properties
- Boiling point
- 642.8 · 642.8±65.0 °C(Predicted)
- Density
- 1.493 · 1.493±0.06 g/cm3(Predicted)
- pka
- 2.63 · 2.63±0.10(Predicted)
Related reactions
0 records
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Compound notes
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