Basic information
- Standard SMILES
Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)COc4ncc(Br)cn4)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1- InChIKey
BMUJMGJSMMTJNL-UHFFFAOYSA-N- Molecular formula
- C31H29Br2N7O5S
- Average molar mass
- 771.5 g/mol
Names & identifiers
- Preferred name
- 4-[2-(5-bromopyrimidin-2-yloxy)-1,1-dimethylethyl]-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-[1-(5-bromopyrimidin-2-yl)oxy-2-methylpropan-2-yl]benzenesulfonamide
Names & synonyms
SCHEMBL8804417BMUJMGJSMMTJNL-UHFFFAOYSA-N4-[2-(5-bromopyrimidin-2-yloxy)-1,1-dimethylethyl]-N-{6-[2-(5-bromopyrimidin-2-yloxy)ethoxy]-5-(4-methylphenyl)pyrimidin-4-yl}benzenesulfonamide4-[2-(5-bromopyrimidin-2-yloxy)-l, 1 -dimethylethyl]-N-{6-[2-(5-bromopyrimidin-2-yloxy)ethoxy]-5-(4-methylphenyl)pyrimidin-4-yl}benzenesulfonamide
Database identifiers
- PubChem CID
- 19689518
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
2 records
Compound notes
Loading…