Basic information
- CAS
477712-75-7- Standard SMILES
Cc1cc(C)c(S(=O)(=O)n2ccc(-c3cccc(OCc4ccc(Cl)cc4Cl)c3)n2)c(C)c1- InChIKey
VIJZDQPHSILYMO-UHFFFAOYSA-N- Molecular formula
- C25H22Cl2N2O3S
- Average molar mass
- 501.4 g/mol
- Monoisotopic mass
- 500.0728191
Names & identifiers
- Preferred name
- 3-{3-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(mesitylsulfonyl)-1H-pyrazole
- IUPAC
- 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrazole
- English name
- 2,4-DICHLOROBENZYL 3-[1-(MESITYLSULFONYL)-1H-PYRAZOL-3-YL]PHENYL ETHER
- Molecular formula
- C25H22Cl2N2O3S
- Molecular weight
- 501.42
Names & synonyms
477712-75-73-{3-[(2,4-dichlorobenzyl)oxy]phenyl}-1-(mesitylsulfonyl)-1H-pyrazole3-{3-[(2,4-dichlorophenyl)methoxy]phenyl}-1-(2,4,6-trimethylbenzenesulfonyl)-1H-pyrazole3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrazole3-(3-((2,4-Dichlorobenzyl)oxy)phenyl)-1-(mesitylsulfonyl)-1H-pyrazoleOprea1_165604CHEMBL4938883AKOS0050933784R-02923-(3-[(2,4-DICHLOROBENZYL)OXY]PHENYL)-1-(MESITYLSULFONYL)-1H-PYRAZOLE2,4-DICHLOROBENZYL 3-[1-(MESITYLSULFONYL)-1H-PYRAZOL-3-YL]PHENYL ETHER1H-Pyrazole, 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(2,4,6-trimethylphenyl)sulfonyl]-
Database identifiers
- CAS
477712-75-7- PubChem CID
- 3829892
- ChEMBL
CHEMBL4938883
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 736
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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