6-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(2-methyl-pyridin-4-yl)-propyl]-phenoxy}-pyridazine-3-carboxylic acid methyl ester

HCID 59508643
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Basic information

Standard SMILES
COC(=O)c1ccc(Oc2ccc(C(C)C(O)(c3ccnc(C)c3)C(F)(F)F)c(Cl)c2)nn1
InChIKey
HOGHXSIQAGNAIW-UHFFFAOYSA-N
Molecular formula
C22H19ClF3N3O4
Average molar mass
481.8 g/mol
Monoisotopic mass
481.1016183

Names & identifiers

Preferred name
6-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(2-methyl-pyridin-4-yl)-propyl]-phenoxy}-pyridazine-3-carboxylic acid methyl ester
IUPAC
methyl 6-[3-chloro-4-[4,4,4-trifluoro-3-hydroxy-3-(2-methyl-4-pyridinyl)butan-2-yl]phenoxy]pyridazine-3-carboxylate

Names & synonyms

6-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(2-methyl-pyridin-4-yl)-propyl]-phenoxy}-pyridazine-3-carboxylic acid methyl esterSCHEMBL479937

Database identifiers

PubChem CID
59508643

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
94.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
33

Related reactions

2 records
New reaction record

Compound notes

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