Basic information
- CAS
346630-09-9- Standard SMILES
Cc1noc(/C(=C/c2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)n1.O=S(=O)(O)c1ccccc1- InChIKey
AJIOTCZAAOYCQD-HYEBSWNJSA-N- Molecular formula
- C37H35N3O8S3
- Average molar mass
- 745.9 g/mol
- Monoisotopic mass
- 745.1586286
Names & identifiers
- Preferred name
- Quinoline, 6-(1-methyl-1-(methylsulfonyl)ethyl)-8-(3-((1E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)ethenyl)phenyl)-, benzenesulfonate (1:1)
- IUPAC
- benzenesulfonic acid;3-methyl-5-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,2,4-oxadiazole
Names & synonyms
MK-0359 besilateMK-0359 besylateL-454560 besilateL-454560 besylateI5H8YF7WYQUNII-I5H8YF7WYQ346630-09-9Quinoline, 6-(1-methyl-1-(methylsulfonyl)ethyl)-8-(3-((1E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)ethenyl)phenyl)-, benzenesulfonate (1:1)orb1740081SCHEMBL6178526T69399
Database identifiers
- CAS
346630-09-9- PubChem CID
- 9853497
- UNII
- I5H8YF7WYQ
Properties
Computed structural properties
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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