Basic information
- Standard SMILES
CN1CCN(NC(=O)c2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)CC1=O- InChIKey
PWVQODNMXRBSMV-UHFFFAOYSA-N- Molecular formula
- C19H18ClF3N4O3
- Average molar mass
- 442.8 g/mol
Names & identifiers
- Preferred name
- 5-(4-Chlorophenyl)-N-(4-methyl-3-oxopiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxamide
- IUPAC
- 5-(4-chlorophenyl)-N-(4-methyl-3-oxopiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
Names & synonyms
5-(4-Chlorophenyl)-N-(4-methyl-3-oxopiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxamideSCHEMBL14761968
Database identifiers
- PubChem CID
- 71294271
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 616
Related reactions
1 records
Compound notes
Loading…