1-(4-(2-(Methylthio)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-3-(2-phenylacetyl)thiourea

HCID 24901700

Basic information

Standard SMILES
CSc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
InChIKey
DYBYBSJVJPDSSC-UHFFFAOYSA-N
Molecular formula
C23H18FN3O2S3
Average molar mass
483.6 g/mol
Monoisotopic mass
483.05451851

Names & identifiers

Preferred name
1-(4-(2-(Methylthio)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-3-(2-phenylacetyl)thiourea
IUPAC
N-[[3-fluoro-4-(2-methylsulfanylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamothioyl]-2-phenylacetamide

Names & synonyms

CHEMBL256920SCHEMBL3620253BDBM24488DYBYBSJVJPDSSC-UHFFFAOYSA-Nthieno[3,2-b]pyridine-based inhibitor, 6c1-(4-(2-(Methylthio)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-3-(2-phenylacetyl)thiourea3-(3-fluoro-4-{[2-(methylsulfanyl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea

Database identifiers

PubChem CID
24901700
ChEMBL
CHEMBL256920

Properties

Computed structural properties

XLogP
6
Topological polar surface area
149 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
32

Related reactions

7 records

Compound notes

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