6-(4-(Benzyloxy)-6-methoxybenzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

HCID 72201708

Basic information

Standard SMILES
COc1cc(OCc2ccccc2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIKey
KRDDTIMFUUMXBL-UHFFFAOYSA-N
Molecular formula
C21H17N3O4S
Average molar mass
407.4 g/mol
Monoisotopic mass
407.09397721

Names & identifiers

Preferred name
6-(4-(Benzyloxy)-6-methoxybenzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
IUPAC
2-methoxy-6-(6-methoxy-4-phenylmethoxy-1-benzofuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

Names & synonyms

6-(4-(Benzyloxy)-6-methoxybenzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazoleCHEMBL3732490SCHEMBL15348519KRDDTIMFUUMXBL-UHFFFAOYSA-NBDBM364744US9862730, Example 203

Database identifiers

PubChem CID
72201708
ChEMBL
CHEMBL3732490

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
99.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
29

Related reactions

4 records

Compound notes

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