[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate
Basic information
- CAS
5573-94-4- Standard SMILES
O=C1CN(C(=O)COC(=O)Cc2ccsc2)c2ccccc2N1- InChIKey
LLLHGXJNNSJUTO-UHFFFAOYSA-N- Molecular formula
- C16H14N2O4S
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.06742811
Names & identifiers
- Preferred name
- [2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate
- IUPAC
- [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate
Names & synonyms
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate5573-94-4SMR000064328MLS000053921CHEMBL1390370DTXSID30366540HMS2412J23AKOS033625094Z184838812-Oxo-2-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl (thiophen-3-yl)acetate
Database identifiers
- CAS
5573-94-4- PubChem CID
- 2104995
- DTXSID
DTXSID30366540- ChEMBL
CHEMBL1390370
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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