Basic information
- Standard SMILES
COc1ccc(Cl)c(Oc2c(C)nc(N3CCOCC3)nc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1- InChIKey
APNHFROZLAKIEB-UHFFFAOYSA-N- Molecular formula
- C26H31ClN4O5S
- Average molar mass
- 547.1 g/mol
Names & identifiers
- Preferred name
- 4-tert-butyl-N-[5-(2-chloro-5-methoxy-phenoxy)-6-methyl-2-(morpholin-4-yl)-pyrimidin-4-yl]-benzenesulphonamide
- IUPAC
- 4-tert-butyl-N-[5-(2-chloro-5-methoxyphenoxy)-6-methyl-2-morpholin-4-ylpyrimidin-4-yl]benzenesulfonamide
Names & synonyms
SCHEMBL7006085APNHFROZLAKIEB-UHFFFAOYSA-N4-tert-butyl-N-[5-(2-chloro-5-methoxy-phenoxy)-6-methyl-2-(morpholin-4-yl)-pyrimidin-4-yl]-benzenesulphonamide
Database identifiers
- PubChem CID
- 19934735
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 824
Related reactions
4 records
Compound notes
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