Basic information
- CAS
852908-01-1- Standard SMILES
Cc1ccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1S(=O)(=O)N1CCCCC1- InChIKey
NUKKBXQGOSGJNZ-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] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
- IUPAC
- [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
Names & synonyms
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoateMLS002246021CHEMBL1551718DTXSID301332295HMS3081N07AKOS002486987852908-01-1SMR001309648Z187892632-(2,2-Dimethyl-3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)-2-oxoethyl 4-methyl-3-(piperidine-1-sulfonyl)benzoate
Database identifiers
- CAS
852908-01-1- PubChem CID
- 4845877
- DTXSID
DTXSID301332295- ChEMBL
CHEMBL1551718
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
Solubility3.6 [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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