1-{4-[2-(1-Ethyl-1H-imidazol-4-yl)-thieno[3,2-b]pyridin-7-yloxy]-3-fluoro-phenyl}-3-[2-(2-methoxy-phenyl)-acetyl]-thiourea

HCID 86604201

Basic information

Standard SMILES
CCn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5OC)cc4F)c3s2)c1
InChIKey
PAAGWFKHKKVZOL-UHFFFAOYSA-N
Molecular formula
C28H24FN5O3S2
Average molar mass
561.7 g/mol

Names & identifiers

Preferred name
1-{4-[2-(1-Ethyl-1H-imidazol-4-yl)-thieno[3,2-b]pyridin-7-yloxy]-3-fluoro-phenyl}-3-[2-(2-methoxy-phenyl)-acetyl]-thiourea
IUPAC
N-[[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide

Names & synonyms

SCHEMBL3572652PAAGWFKHKKVZOL-UHFFFAOYSA-N1-{4-[2-(1-Ethyl-1H-imidazol-4-yl)-thieno[3,2-b]pyridin-7-yloxy]-3-fluoro-phenyl}-3-[2-(2-methoxy-phenyl)-acetyl]-thiourea1-{4-[2-(1-Ethyl-1H-imidazol-4-yl)-thieno[3,2-b]pyridin-7-yloxy]-3-fluoro-phenyl}-3-[2-(2-methoxy-phenyl)acetyl]-thiourea

Database identifiers

PubChem CID
86604201

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
151 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
39

Related reactions

4 records

Compound notes

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