4-Hydroxyl-9-bromo-2-(2-isopropyl-thiazol-4-yl)-8-methoxy-benzofuro[3,2-b]pyridine
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Basic information
- Standard SMILES
COc1ccc2oc3c(O)cc(-c4csc(C(C)C)n4)nc3c2c1Br- InChIKey
KEAPMAHBONDLQI-UHFFFAOYSA-N- Molecular formula
- C18H15BrN2O3S
- Average molar mass
- 419.3 g/mol
- Monoisotopic mass
- 417.99868
Names & identifiers
- Preferred name
- 4-Hydroxyl-9-bromo-2-(2-isopropyl-thiazol-4-yl)-8-methoxy-benzofuro[3,2-b]pyridine
- IUPAC
- 9-bromo-8-methoxy-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1H-[1]benzofuro[3,2-b]pyridin-4-one
Names & synonyms
SCHEMBL15766378KEAPMAHBONDLQI-UHFFFAOYSA-N4-hydroxyl-9-bromo-2-(2-isopropyl-thiazol-4-yl)-8-methoxy-benzofuro[3,2-b]pyridine
Database identifiers
- PubChem CID
- 86722260
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 92.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 573
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Related reactions
2 records
Compound notes
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