Basic information
- CAS
340320-10-7- Standard SMILES
Cc1ccc(C)c(N2CC(C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)c1- InChIKey
YYOBSRMDODDHNV-UHFFFAOYSA-N- Molecular formula
- C21H20BrNO4
- Average molar mass
- 430.3 g/mol
- Monoisotopic mass
- 429.05757
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-2-oxoethyl 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
- English name
- 2-(4-bromophenyl)-2-oxoethyl 1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylate
- Molecular formula
- C21H20BrNO4
- Molecular weight
- 430.2918
Names & synonyms
2-(4-bromophenyl)-2-oxoethyl 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate2-(4-bromophenyl)-2-oxoethyl 1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylate340320-10-7AG-219/13129134STK016353AKOS000340736AKOS022084492[2-(4-bromophenyl)-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylateNCGC00279148-01AB01276463-01SR-01000251754SR-01000251754-1
Database identifiers
- CAS
340320-10-7- PubChem CID
- 2927127
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 573
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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