Basic information
- Standard SMILES
O=C(NCCCC1CC1)c1ccc(N2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)nn1- InChIKey
WWEQKPHXLQZYMO-UHFFFAOYSA-N- Molecular formula
- C23H25F4N5O2
- Average molar mass
- 479.5 g/mol
- Monoisotopic mass
- 479.19443771
Names & identifiers
- Preferred name
- 6-[4-(5-Fluoro-2-trifluoromethylbenzoyl)piperazin-1-YL]pyridazine-3-carboxylic acid (3-cyclopropylpropyl)amide
- IUPAC
- N-(3-cyclopropylpropyl)-6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
Names & synonyms
6-[4-(5-FLUORO-2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC ACID (3-CYCLOPROPYLPROPYL)AMIDESCHEMBL1377534
Database identifiers
- PubChem CID
- 11317580
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 712
Related reactions
3 records
Compound notes
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