N1-(3-fluoro-4-(thieno[3,2-b]pyridin-7-yloxy)phenyl)-N3-phenylmalonamide

HCID 45488043
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Basic information

Standard SMILES
O=C(CC(=O)Nc1ccc(Oc2ccnc3ccsc23)c(F)c1)Nc1ccccc1
InChIKey
QWVYEFCLRGZMJR-UHFFFAOYSA-N
Molecular formula
C22H16FN3O3S
Average molar mass
421.4 g/mol
Monoisotopic mass
421.08964072

Names & identifiers

Preferred name
N1-(3-fluoro-4-(thieno[3,2-b]pyridin-7-yloxy)phenyl)-N3-phenylmalonamide
IUPAC
N'-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-N-phenylpropanediamide

Names & synonyms

CHEMBL566621N1-(3-fluoro-4-(thieno[3,2-b]pyridin-7-yloxy)phenyl)-N3-phenylmalonamideSCHEMBL307620QWVYEFCLRGZMJR-UHFFFAOYSA-NBDBM50303261

Database identifiers

PubChem CID
45488043
ChEMBL
CHEMBL566621

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
30

Related reactions

12 records
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Compound notes

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