(S)-tert-butyl 2-(2-(4-bromophenyl)-2-oxoethylcarbamoyl)-4,4-difluoropyrrolidine-1-carboxylate
Basic information
- CAS
1007881-99-3- Standard SMILES
CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)NCC(=O)c1ccc(Br)cc1- InChIKey
OYHFBYXGNGFKLE-ZDUSSCGKSA-N- Molecular formula
- C18H21BrF2N2O4
- Average molar mass
- 447.3 g/mol
- Monoisotopic mass
- 446.06528
Names & identifiers
- Preferred name
- (S)-tert-butyl 2-(2-(4-bromophenyl)-2-oxoethylcarbamoyl)-4,4-difluoropyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2S)-2-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-4,4-difluoropyrrolidine-1-carboxylate
Names & synonyms
1007881-99-3TERT-BUTYL (S)-2-((2-(4-BROMOPHENYL)-2-OXOETHYL)CARBAMOYL)-4,4-DIFLUOROPYRROLIDINE-1-CARBOXYLATE(S)-tert-butyl 2-(2-(4-bromophenyl)-2-oxoethylcarbamoyl)-4,4-difluoropyrrolidine-1-carboxylateSCHEMBL10182644DTXSID001108279(S)-tert-butyl2-(2-(4-bromophenyl)-2-oxoethylcarbamoyl)-4,4-difluoropyrrolidine-1-carboxylate1,1-Dimethylethyl (2S)-2-[[[2-(4-bromophenyl)-2-oxoethyl]amino]carbonyl]-4,4-difluoro-1-pyrrolidinecarboxylateTERT-BUTYL(S)-2-((2-(4-BROMOPHENYL)-2-OXOETHYL)CARBAMOYL)-4,4-DIFLUOROPYRROLIDINE-1-CARBOXYLATE
Database identifiers
- CAS
1007881-99-3- PubChem CID
- 59166348
- DTXSID
DTXSID001108279
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 586
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…