Basic information
- Standard SMILES
COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ccnc(SC)n2)c1- InChIKey
JCRMVUAPZLDYQW-UHFFFAOYSA-N- Molecular formula
- C28H31N5O6S2
- Average molar mass
- 597.7 g/mol
Names & identifiers
- Preferred name
- 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-{2-(2-methylthiopyrimidin-4-yloxy)ethoxy}pyrimidin-4-yl]benzenesulfonamide
- IUPAC
- 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-[2-(2-methylsulfanylpyrimidin-4-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide
Names & synonyms
SCHEMBL8656803JCRMVUAPZLDYQW-UHFFFAOYSA-N4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-{2-(2-methylthiopyrimidin-4-yloxy)ethoxy}pyrimidin-4-yl]benzenesulfonamide
Database identifiers
- PubChem CID
- 19689502
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 880
Related reactions
3 records
Linked notes
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