5-(4-Bromo-phenyl)-1H-imidazol-2-yl-4-difluoromethoxy-pyrrolidine-1-carboxylic acid tert-butyl ester
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC(OC(F)F)CC1c1ncc(-c2ccc(Br)cc2)[nH]1- InChIKey
HBLAWFZPDFATTP-UHFFFAOYSA-N- Molecular formula
- C19H22BrF2N3O3
- Average molar mass
- 458.3 g/mol
Names & identifiers
- Preferred name
- 5-(4-Bromo-phenyl)-1H-imidazol-2-yl-4-difluoromethoxy-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxy)pyrrolidine-1-carboxylate
Names & synonyms
5-(4-Bromo-phenyl)-1H-imidazol-2-yl-4-difluoromethoxy-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 72338136
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 541
Related reactions
2 records
Compound notes
Loading…