Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCN1C(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1- InChIKey
DDOKGZLQKHJNOU-UHFFFAOYSA-N- Molecular formula
- C22H23ClF3N3O4
- Average molar mass
- 485.9 g/mol
- Monoisotopic mass
- 485.1329184
Names & identifiers
- Preferred name
- t-Butyl 2-[(5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl)carbonyl]-pyrazolidine-1-carboxylate
- IUPAC
- tert-butyl 2-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]pyrazolidine-1-carboxylate
Names & synonyms
t-butyl 2-[(5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl)carbonyl]-pyrazolidine-1-carboxylateSCHEMBL14762298
Database identifiers
- PubChem CID
- 71294447
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 695
Related reactions
1 records
Compound notes
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