Basic information
- Standard SMILES
O=C(Cl)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1- InChIKey
FDOIWYZGTDRHBD-UHFFFAOYSA-N- Molecular formula
- C17H14ClF3N4O2
- Average molar mass
- 398.8 g/mol
Names & identifiers
- Preferred name
- 6-{4-[2-(Trifluoromethyl)benzoyl]piperazin-1-yl}pyridazine-3-carbonyl chloride
- IUPAC
- 6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonyl chloride
Names & synonyms
6-{4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl}pyridazine-3-carbonyl chlorideSCHEMBL937006840491-78-3DB-3503066-[4-(2-trifluoromethyl-benzoyl)piperazin-1-yl]pyridazine-3-carbonyl chloride6-[4-(2-trifluoromethylbenzoyl)-piperazin-1-yl]pyridazine-3-carbonyl chloride
Database identifiers
- PubChem CID
- 86597230
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 555
Related reactions
10 records
Linked notes
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