Basic information
- Standard SMILES
CCC(C)(C)c1ccc(S(=O)(=O)Nc2c(-c3ccc(C)cc3)c(OCCOc3ncc(Br)cn3)nn2C)cc1- InChIKey
AFKLPFKCNJKOMB-UHFFFAOYSA-N- Molecular formula
- C28H32BrN5O4S
- Average molar mass
- 614.6 g/mol
Names & identifiers
- Preferred name
- N-[3-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy}-1-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl]4-(tert-pentyl)benzenesulfonamide
- IUPAC
- N-[3-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide
Names & synonyms
SCHEMBL6292823AFKLPFKCNJKOMB-UHFFFAOYSA-NN-[3-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy}-1-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl]4-(tert-pentyl)benzenesulfonamideN-[3-{2-[(5bromo-2-pyrimidinyl)oxy]ethoxy}-1-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl]-4-(tert-pentyl)benzenesulfonamide
Database identifiers
- PubChem CID
- 9809123
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 851
Related reactions
3 records
Compound notes
Loading…