Basic information
- Standard SMILES
COc1ccc(CN(c2nccs2)S(=O)(=O)c2ccc3c(B4OC(C)(C)C(C)(C)O4)cccc3c2)c(OC)c1- InChIKey
MAMFTQMIKNVBDB-UHFFFAOYSA-N- Molecular formula
- C28H31BN2O6S2
- Average molar mass
- 566.5 g/mol
- Monoisotopic mass
- 566.1716592
Names & identifiers
- Preferred name
- N-(2,4-dimethoxybenzyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(thiazol-2-yl)naphthalene-2-sulfonamide
- IUPAC
- N-[(2,4-dimethoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(1,3-thiazol-2-yl)naphthalene-2-sulfonamide
Names & synonyms
SCHEMBL15011774MAMFTQMIKNVBDB-UHFFFAOYSA-NN-(2,4-dimethoxybenzyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(thiazol-2-yl)naphthalene-2-sulfonamide
Database identifiers
- PubChem CID
- 86687396
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 931
Related reactions
2 records
Compound notes
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