5-{5-[3-(3-Hydroxy-propoxy)-phenylamino]-2-methyl-phenyl}-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile

HCID 22019030

Basic information

Standard SMILES
CSc1sc(-c2cc(Nc3cccc(OCCCO)c3)ccc2C)c(-c2cccnc2)c1C#N
InChIKey
UJJHMEGJQIQCLB-UHFFFAOYSA-N
Molecular formula
C27H25N3O2S2
Average molar mass
487.6 g/mol

Names & identifiers

Preferred name
5-{5-[3-(3-Hydroxy-propoxy)-phenylamino]-2-methyl-phenyl}-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile
IUPAC
5-[5-[3-(3-hydroxypropoxy)anilino]-2-methylphenyl]-2-methylsulfanyl-4-pyridin-3-ylthiophene-3-carbonitrile

Names & synonyms

SCHEMBL5758010UJJHMEGJQIQCLB-UHFFFAOYSA-N5-{5-[3-(3-Hydroxy-propoxy)-phenylamino]-2-methyl-phenyl}-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile5-{5-[3-(3-Hydroxy-propoxy)-phenylamino]-2-methylphenyl}-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile

Database identifiers

PubChem CID
22019030

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
132 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
34

Related reactions

6 records

Compound notes

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