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
- Formal charge
- 0
- Complexity
- 552
Related reactions
4 records
Compound notes
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