Basic information
- Standard SMILES
Cc1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/c2n[nH]c(=O)o2)cc1- InChIKey
HHTKHHVEGPGDAV-NYYWCZLTSA-N- Molecular formula
- C25H17FN2O4S
- Average molar mass
- 460.5 g/mol
Names & identifiers
- Preferred name
- (E)-5-(4-((2-(4-fluoro-2-methylphenyl)-6-hydroxybenzo[b]thiophen-3-yl)oxy)styryl)-1,3,4-oxadiazol-2(3H)-one
- IUPAC
- 5-[(E)-2-[4-[[2-(4-fluoro-2-methylphenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]ethenyl]-3H-1,3,4-oxadiazol-2-one
Names & synonyms
CHEMBL5939349SCHEMBL15953890HHTKHHVEGPGDAV-NYYWCZLTSA-NBDBM269393US10058534, 48(E)-5-(4-((2-(4-fluoro-2-methylphenyl)-6-hydroxybenzo [b]thiophen-3-yl)oxy)styryl)-1,3,4-oxadiazol-2(3H)-one(E)-5-(4-((2-(4-fluoro-2-methylphenyl)-6-hydroxybenzo[b]thiophen-3-yl)oxy)styryl)-1,3,4-oxadiazol-2(3H)-one
Database identifiers
- PubChem CID
- 78320175
- ChEMBL
CHEMBL5939349
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 772
Related reactions
2 records
Compound notes
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