Basic information
- Standard SMILES
CC1(Oc2ccccc2C(F)(F)F)CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1- InChIKey
WAGGXMHPWYXGLS-UHFFFAOYSA-N- Molecular formula
- C23H27F3N4O2
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.2086106
Names & identifiers
- Preferred name
- 6-[4-Methyl-4-(2-trifluoromethylphenoxy)piperidin-1-YL]pyridazine-3-carboxylic acid (2-cyclopropylethyl)amide
- IUPAC
- N-(2-cyclopropylethyl)-6-[4-methyl-4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carboxamide
Names & synonyms
6-[4-METHYL-4-(2-TRIFLUOROMETHYLPHENOXY)PIPERIDIN-1-YL]PYRIDAZINE-3-CARBOXYLIC ACID (2-CYCLOPROPYLETHYL)AMIDESCHEMBL1815628
Database identifiers
- PubChem CID
- 11539635
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 635
Related reactions
2 records
Compound notes
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