Basic information
- Standard SMILES
COc1ccc(Cl)c(Oc2c(COCCO)ncnc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1- InChIKey
USXXYJBMYGYYGJ-UHFFFAOYSA-N- Molecular formula
- C24H28ClN3O6S
- Average molar mass
- 522 g/mol
Names & identifiers
- Preferred name
- 4-tert-butyl-N-[5-(2-chloro-5-methoxy-phenoxy)-6-(2-hydroxy-ethoxy-methyl)-pyrimidin-4-yl]-benzenesulphonamide
- IUPAC
- 4-tert-butyl-N-[5-(2-chloro-5-methoxyphenoxy)-6-(2-hydroxyethoxymethyl)pyrimidin-4-yl]benzenesulfonamide
Names & synonyms
SCHEMBL7006879USXXYJBMYGYYGJ-UHFFFAOYSA-NL0112284-tert-butyl-N-[5-(2-chloro-5-methoxy-phenoxy)-6-(2-hydroxy-ethoxy-methyl)-pyrimidin-4-yl]-benzenesuiphonamide4-tert-butyl-N-[5-(2-chloro-5-methoxy-phenoxy)-6-(2-hydroxy-ethoxy-methyl)-pyrimidin-4-yl]-benzenesulphonamide
Database identifiers
- PubChem CID
- 19934741
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 739
Related reactions
3 records
Compound notes
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