Basic information
- Standard SMILES
Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(S)cn2)cc1- InChIKey
BXKGPEIKQRTOJB-UHFFFAOYSA-N- Molecular formula
- C27H29N5O4S2
- Average molar mass
- 551.7 g/mol
Names & identifiers
- Preferred name
- 4-tert-butyl-N-{6-[2-(5-mercaptopyrimidin-2-yloxy)ethoxy]-5-(4-methylphenyl)pyrimidin-4-yl}benzenesulfonamide
- IUPAC
- 4-tert-butyl-N-[5-(4-methylphenyl)-6-[2-(5-sulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide
Names & synonyms
SCHEMBL8661143BXKGPEIKQRTOJB-UHFFFAOYSA-N4-tert-butyl-N-{6-[2-(5-mercaptopyrimidin-2-yloxy)ethoxy]-5-(4-methylphenyl)pyrimidin-4-yl}benzenesulfonamide
Database identifiers
- PubChem CID
- 19689529
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 812
Related reactions
3 records
Compound notes
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