Basic information
- Standard SMILES
Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1- InChIKey
XCDYCRJUBJSYLD-UHFFFAOYSA-N- Molecular formula
- C27H28BrN5O4S
- Average molar mass
- 598.5 g/mol
Names & identifiers
- Preferred name
- 4-tert-butyl-N-{6-[2-(5-bromopyrimidin-2-yloxy)ethoxy]-5-(4-methylphenyl)pyrimidin-4-yl}benzenesulfonamide
- IUPAC
- N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-tert-butylbenzenesulfonamide
Names & synonyms
CHEMBL112531SCHEMBL795650XCDYCRJUBJSYLD-UHFFFAOYSA-NBDBM50105033L0130934-tert-butyl-N-{6-[2-(5-bromopyrimidin-2-yloxy)ethoxy]-5-(4-methylphenyl)pyrimidin-4-yl}benzenesulfonamideN-[6-{2-(5-bromopyrimidin-2-yloxy)ethoxy}-5-(4-methylphenyl)pyrimidin-4-yl]-4-tert-butylbenzenesulfonamideN-[6-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy}-5-(4-methylphenyl)-4-pyrimidinyl]-4-(tert-butyl)benzenesulfonamideN-{6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-5-p-tolyl-pyrimidin-4-yl}-4-tert-butyl-benzenesulfonamide
Database identifiers
- PubChem CID
- 9938571
- ChEMBL
CHEMBL112531- Nikkaji
- J1.655.212G
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 814
Related reactions
14 records
Linked notes
Loading…