4-((1R,2S)-2-hydroxy-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propylamino)benzo[b]thiophene-7-carbonitrile

HCID 67006457

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: C[C@H](O)[C@@H](Nc1ccc(C#N)c2sccc12)c1nnc(-c2ccccc2)o1
InChIKey: MUNYVBIMFAPTLY-YVEFUNNKSA-N
Molecular formula: C20H16N4O2S
Average molar mass: 376.4 g/mol

Names & identifiers

Preferred name: 4-((1R,2S)-2-hydroxy-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propylamino)benzo[b]thiophene-7-carbonitrile
IUPAC: 4-[[(1R,2S)-2-hydroxy-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propyl]amino]-1-benzothiophene-7-carbonitrile

Names & synonyms

SCHEMBL1364462MUNYVBIMFAPTLY-YVEFUNNKSA-NBDBM112851US8629167, 634-((1R,2S)-2-hydroxy-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propylamino)benzo[b]thiophene-7-carbonitrile

Database identifiers

PubChem CID: 67006457

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 123 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 549

Related reactions

4 records

New reaction record

HRID 470861As productuspto-grants-2014_01

HRID 563321As productuspto-grants-2011_11

HRID 1254770As productuspto-grants-2013_06

HRID 2388523As productuspto-grants-2012_09

Compound notes

Loading…