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Basic information
- Standard SMILES
O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])c(Sc2ccc(F)cc2F)c1- InChIKey
YGOQIOHCAFXLMF-UHFFFAOYSA-N- Molecular formula
- C19H12F2N2O3S
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.05366975
Names & identifiers
- Preferred name
- N-phenyl3-(2,4-difluorophenylthio)-4-nitrobenzamide
- IUPAC
- 3-(2,4-difluorophenyl)sulfanyl-4-nitro-N-phenylbenzamide
Names & synonyms
SCHEMBL9536532YGOQIOHCAFXLMF-UHFFFAOYSA-NN-phenyl3-(2,4-difluorophenylthio)-4-nitrobenzamide
Database identifiers
- PubChem CID
- 10249544
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 528
Related reactions
2 records
Compound notes
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