HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 72201708Generated: October 26, 2026
6-(4-(Benzyloxy)-6-methoxybenzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
https://huagongshe.com/en/chemical/72201708
Identifiers & Physical Properties
| Molecular formula | C21H17N3O4S |
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| Average molar mass | 407.4 g/mol |
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| Monoisotopic mass | 407.09397721 g/mol |
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| SMILES | COc1cc(OCc2ccccc2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 |
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| InChIKey | KRDDTIMFUUMXBL-UHFFFAOYSA-N |
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| PubChem CID | 72201708 |
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| ChEMBL | CHEMBL3732490 |
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Chemical & Physical Properties
| XLogP | 4.7 |
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| Topological polar surface area | 99.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 29 |
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| Formal charge | 0 |
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| Complexity | 552 |
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![6-(4-(Benzyloxy)-6-methoxybenzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole molecular structure](/img/chemical/72201708.png)