Basic information
- Standard SMILES
CCOC(=O)c1ccc(OCCOc2ncnc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc(C)cc2)cc1- InChIKey
GNXMVKIQVLXPKT-UHFFFAOYSA-N- Molecular formula
- C32H35N3O6S
- Average molar mass
- 589.7 g/mol
- Monoisotopic mass
- 589.22465702
Names & identifiers
- Preferred name
- 4-tert-butyl-N-[6-{2-(4-ethoxycarbonylphenoxy)ethoxy}-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide
- IUPAC
- ethyl 4-[2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(4-methylphenyl)pyrimidin-4-yl]oxyethoxy]benzoate
Names & synonyms
SCHEMBL8658706GNXMVKIQVLXPKT-UHFFFAOYSA-N4-tert-butyl-N-[6-{2-(4-ethoxycarbonylphenoxy)ethoxy}-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide
Database identifiers
- PubChem CID
- 19689528
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 927
Related reactions
2 records
Compound notes
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