Methyl 2-(2,4-difluorophenylamino)-5-fluoro-6-phenylthionicotinate
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Basic information
- Standard SMILES
COC(=S)c1cc(F)c(-c2ccccc2)nc1Nc1ccc(F)cc1F- InChIKey
ZIPWMHWQZAESNH-UHFFFAOYSA-N- Molecular formula
- C19H13F3N2OS
- Average molar mass
- 374.4 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(2,4-difluorophenylamino)-5-fluoro-6-phenylthionicotinate
- IUPAC
- O-methyl 2-(2,4-difluoroanilino)-5-fluoro-6-phenylpyridine-3-carbothioate
Names & synonyms
SCHEMBL10549637ZIPWMHWQZAESNH-UHFFFAOYSA-Nmethyl 2-(2,4-difluorophenylamino)-5-fluoro-6-phenylthionicotinate
Database identifiers
- PubChem CID
- 54549062
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 478
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Related reactions
1 records
Compound notes
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