Basic information
- Standard SMILES
COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCNc2ncccn2)c1.O- InChIKey
ULTFWJVLECOARI-UHFFFAOYSA-N- Molecular formula
- C27H32N6O6S
- Average molar mass
- 568.6 g/mol
Names & identifiers
- Preferred name
- 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-{2-(2-pyrimidinylamino)ethoxy}-pyrimidin-4-yl]benzenesulfonamide hydrate
- IUPAC
- 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-[2-(pyrimidin-2-ylamino)ethoxy]pyrimidin-4-yl]benzenesulfonamide;hydrate
Names & synonyms
SCHEMBL8657365ULTFWJVLECOARI-UHFFFAOYSA-N4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-{2-(2-pyrimidinylamino)ethoxy}-pyrimidin-4-yl]benzenesulfonamide hydrate
Database identifiers
- PubChem CID
- 19689482
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 824
Related reactions
2 records
Compound notes
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