Basic information
- Standard SMILES
COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCc1csc(Br)n1- InChIKey
GTGSUMWEWCQSQQ-UHFFFAOYSA-N- Molecular formula
- C17H21BBrNO4S
- Average molar mass
- 426.1 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-4-{[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl}-1,3-thiazole
- IUPAC
- 2-bromo-4-[[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]-1,3-thiazole
Names & synonyms
SCHEMBL4857068GTGSUMWEWCQSQQ-UHFFFAOYSA-NDB-2030482-Bromo-4-[[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]thiazole2-bromo-4-{[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl}-1,3-thiazole956002-67-8
Database identifiers
- PubChem CID
- 69219262
Properties
Computed structural properties
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 454
Related reactions
1 records
Compound notes
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