Basic information
- Standard SMILES
CC(=O)c1ccc(OCCOc2ncnc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc(C)cc2)cc1- InChIKey
PCUFZIGNBAXZLG-UHFFFAOYSA-N- Molecular formula
- C31H33N3O5S
- Average molar mass
- 559.7 g/mol
Names & identifiers
- Preferred name
- N-[6-{2-(4-acetylphenoxy)ethoxy}-5-(4-methylphenyl)pyrimidin-4-yl]-4-tert-butylbenzenesulfonamide
- IUPAC
- N-[6-[2-(4-acetylphenoxy)ethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-tert-butylbenzenesulfonamide
Names & synonyms
SCHEMBL8657448PCUFZIGNBAXZLG-UHFFFAOYSA-NN-[6-{2-(4-acetylphenoxy)ethoxy}-5-(4-methylphenyl)pyrimidin-4-yl]-4-tert-butylbenzenesulfonamide
Database identifiers
- PubChem CID
- 19689469
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 893
Related reactions
2 records
Compound notes
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