Basic information
- Standard SMILES
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ncnc1OCCNS(C)(=O)=O- InChIKey
JZZHSYMMASHERO-UHFFFAOYSA-N- Molecular formula
- C24H30N4O7S2
- Average molar mass
- 550.7 g/mol
Names & identifiers
- Preferred name
- 4-tert.-butyl-N-{6-[2-(methanesulfonyl-amino)-ethoxy]-5-(o-methoxy-phenoxy)-pyrimidin-4-yl}-benzenesulfonamide
- IUPAC
- 4-tert-butyl-N-[6-[2-(methanesulfonamido)ethoxy]-5-(2-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide
Names & synonyms
SCHEMBL7200377JZZHSYMMASHERO-UHFFFAOYSA-N4-tert.-butyl-N-{6-[2-(methanesulfonyl-amino)-ethoxy]-5-(o-methoxy-phenoxy)-pyrimidin-4-yl}-benzenesulfonamide
Database identifiers
- PubChem CID
- 18184233
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 907
Related reactions
2 records
Compound notes
Loading…