Basic information
- Standard SMILES
COc1ccc(Cl)c(Oc2c(COCCO)nc(N3CCOCC3)nc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1- InChIKey
CWDRJBISOYEBCT-UHFFFAOYSA-N- Molecular formula
- C28H35ClN4O7S
- Average molar mass
- 607.1 g/mol
Names & identifiers
- Preferred name
- 4-tert-butyl-N-[5-(2-chloro-5methoxy-phenoxy)-6-(2-hydroxy-ethoxymethyl)-2-(morpholin-4-yl)-pyrimidin-4-yl]-benzenesulphonamide
- IUPAC
- 4-tert-butyl-N-[5-(2-chloro-5-methoxyphenoxy)-6-(2-hydroxyethoxymethyl)-2-morpholin-4-ylpyrimidin-4-yl]benzenesulfonamide
Names & synonyms
SCHEMBL7013111CWDRJBISOYEBCT-UHFFFAOYSA-NL0112264-tert-butyl-N-[5-(2-chloro-5methoxy-phenoxy)-6-(2-hydroxy-ethoxymethyl)-2-(morpholin-4-yl)-pyrimidin-4-yl]-benzenesulphonamide
Database identifiers
- PubChem CID
- 9830283
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 891
Related reactions
1 records
Compound notes
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