Basic information
- Standard SMILES
O=C(Cc1ccc(OCc2ccc(F)cc2)cc1)Nc1nc(=S)ss1- InChIKey
PITJDYCMVBPUMF-UHFFFAOYSA-N- Molecular formula
- C17H13FN2O2S3
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.01231934
Names & identifiers
- Preferred name
- 2-{4-[(4-fluorobenzyl)oxy]phenyl}-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)acetoamide
- IUPAC
- 2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)acetamide
Names & synonyms
SCHEMBL5097842PITJDYCMVBPUMF-UHFFFAOYSA-N2-{4-[(4-fluorobenzyl)oxy]phenyl}-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)acetoamide
Database identifiers
- PubChem CID
- 59680528
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 516
Related reactions
2 records
Compound notes
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