4-((1R,2R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-2-hydroxypropylamino)benzo[b]thiophene-7-carbonitrile
Basic information
- Standard SMILES
C[C@@H](O)[C@@H](Nc1ccc(C#N)c2sccc12)c1nnc(-c2ccc(F)cc2)o1- InChIKey
DDAMUAPNONKFLC-PIGZYNQJSA-N- Molecular formula
- C20H15FN4O2S
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.08997507
Names & identifiers
- Preferred name
- 4-((1R,2R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-2-hydroxypropylamino)benzo[b]thiophene-7-carbonitrile
- IUPAC
- 4-[[(1R,2R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]-1-benzothiophene-7-carbonitrile
Names & synonyms
SCHEMBL1363913DDAMUAPNONKFLC-PIGZYNQJSA-NBDBM112852US8629167, 644-((1R,2R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-2-hydroxypropylamino)benzo[b]thiophene-7-carbonitrile
Database identifiers
- PubChem CID
- 44199833
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 582
Related reactions
4 records
Compound notes
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