Methyl 5-[(4-chlorophenyl)thio]-4-[[[(2,4-dichlorophenyl)methoxy]imino]methyl]-1-phenyl-1H-pyrazole-3-carboxylate
Basic information
- CAS
400077-38-5- Standard SMILES
COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1C=NOCc1ccc(Cl)cc1Cl- InChIKey
UYFAQMYGJINJIJ-UHFFFAOYSA-N- Molecular formula
- C25H18Cl3N3O3S
- Average molar mass
- 546.8 g/mol
- Monoisotopic mass
- 545.013446
Names & identifiers
- Preferred name
- Methyl 5-[(4-chlorophenyl)thio]-4-[[[(2,4-dichlorophenyl)methoxy]imino]methyl]-1-phenyl-1H-pyrazole-3-carboxylate
- IUPAC
- methyl 5-(4-chlorophenyl)sulfanyl-4-[(2,4-dichlorophenyl)methoxyiminomethyl]-1-phenylpyrazole-3-carboxylate
Names & synonyms
DTXSID801107487Methyl 5-[(4-chlorophenyl)thio]-4-[[[(2,4-dichlorophenyl)methoxy]imino]methyl]-1-phenyl-1H-pyrazole-3-carboxylate
Database identifiers
- CAS
400077-38-5- PubChem CID
- 3448255
- DTXSID
DTXSID801107487
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 707
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Related reactions
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Compound notes
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