Basic information
- Standard SMILES
CNC(=O)N(O)CCC1=C(C)/C(=C/c2ccc(SC)cc2)c2ccc(F)cc21- InChIKey
JZCZIFDLCSBFEJ-NDENLUEZSA-N- Molecular formula
- C22H23FN2O2S
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.14642732
Names & identifiers
- Preferred name
- (Z)-N-{2-[5-Fluoro-2-methyl-1-(4-methylthiobenzylidene)inden-3-yl]ethyl}-N-hydroxy-N'-methylurea
- IUPAC
- 1-[2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethyl]-1-hydroxy-3-methylurea
Names & synonyms
SCHEMBL7929663JZCZIFDLCSBFEJ-NDENLUEZSA-N(Z)-N-{2-[5-Fluoro-2-methyl-1-(4-methylthiobenzylidene)inden-3-yl]ethyl}-N-hydroxy-N'-methylurea
Database identifiers
- PubChem CID
- 10135501
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 628
Related reactions
3 records
Compound notes
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