[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
Basic information
- CAS
852908-00-0- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C- InChIKey
XIYJUYALADDJCB-UHFFFAOYSA-N- Molecular formula
- C25H29N3O6S
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.17770683
Names & identifiers
- Preferred name
- [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
- IUPAC
- [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
Names & synonyms
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoateMLS002246016CHEMBL1715876DTXSID601332270HMS3081L15AKOS033646602852908-00-0SMR001309643Z188618952-(2,2-Dimethyl-3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)-2-oxoethyl 2-methyl-5-(piperidine-1-sulfonyl)benzoate
Database identifiers
- CAS
852908-00-0- PubChem CID
- 4845876
- DTXSID
DTXSID601332270- ChEMBL
CHEMBL1715876
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 924
Experimental & physicochemical properties
Solubility3.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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