4-(1,1-Dimethylethyl)-N-[5-(2-ethoxyphenoxy)-6-(2-hydroxyethoxy)[2,2a(2)-bipyrimidin]-4-yl]benzenesulfonamide
Basic information
- CAS
174227-21-5- Standard SMILES
CCOc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO- InChIKey
JKSFADISEGYEED-UHFFFAOYSA-N- Molecular formula
- C28H31N5O6S
- Average molar mass
- 565.6 g/mol
- Monoisotopic mass
- 565.1995049
Names & identifiers
- Preferred name
- 4-(1,1-Dimethylethyl)-N-[5-(2-ethoxyphenoxy)-6-(2-hydroxyethoxy)[2,2a(2)-bipyrimidin]-4-yl]benzenesulfonamide
- IUPAC
- 4-tert-butyl-N-[5-(2-ethoxyphenoxy)-6-(2-hydroxyethoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
Names & synonyms
DTXSID001110290174227-21-54-(1,1-Dimethylethyl)-N-[5-(2-ethoxyphenoxy)-6-(2-hydroxyethoxy)[2,2a(2)-bipyrimidin]-4-yl]benzenesulfonamide
Database identifiers
- CAS
174227-21-5- PubChem CID
- 165367607
- DTXSID
DTXSID001110290
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 854
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Compound notes
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