Ethyl 2-[2-(2,4-difluorophenylamino)-5-fluoro-6-phenylthionicotinoyl]acetate
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Basic information
- Standard SMILES
CCOC(=O)CC(=S)c1cc(F)c(-c2ccccc2)nc1Nc1ccc(F)cc1F- InChIKey
AHDRLAVFWKJZNB-UHFFFAOYSA-N- Molecular formula
- C22H17F3N2O2S
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.09628345
Names & identifiers
- Preferred name
- Ethyl 2-[2-(2,4-difluorophenylamino)-5-fluoro-6-phenylthionicotinoyl]acetate
- IUPAC
- ethyl 3-[2-(2,4-difluoroanilino)-5-fluoro-6-phenyl-3-pyridinyl]-3-sulfanylidenepropanoate
Names & synonyms
SCHEMBL10549948AHDRLAVFWKJZNB-UHFFFAOYSA-Nethyl 2-[2-(2,4-difluorophenylamino)-5-fluoro-6-phenylthionicotinoyl]acetate
Database identifiers
- PubChem CID
- 20031433
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 591
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Related reactions
2 records
Compound notes
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