Basic information
- Standard SMILES
COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ccncn2)c1- InChIKey
PKGLDMGJFAMNST-UHFFFAOYSA-N- Molecular formula
- C27H29N5O6S
- Average molar mass
- 551.6 g/mol
Names & identifiers
- Preferred name
- 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-{2-(pyrimidin-4-yloxy)ethoxy}pyrimidin-4-yl]benzenesulfonamide
- IUPAC
- 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-(2-pyrimidin-4-yloxyethoxy)pyrimidin-4-yl]benzenesulfonamide
Names & synonyms
CHEMBL324246SCHEMBL8656838PKGLDMGJFAMNST-UHFFFAOYSA-NBDBM501050384-tert-butyl-N-[5-(3-methoxyphenoxy)-6-{2-(pyrimidin-4-yloxy)ethoxy}pyrimidin-4-yl]benzenesulfonamide4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(pyrimidin-4-yloxy)-ethoxy]-pyrimidin-4-yl}-benzenesulfonamide
Database identifiers
- PubChem CID
- 11813644
- ChEMBL
CHEMBL324246
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 830
Related reactions
3 records
Linked notes
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