[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3,5-dichlorobenzoate
Basic information
- CAS
852908-07-7- Standard SMILES
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc(Cl)cc(Cl)c1- InChIKey
XHAKQYGASGVARV-UHFFFAOYSA-N- Molecular formula
- C19H16Cl2N2O4
- Average molar mass
- 407.2 g/mol
- Monoisotopic mass
- 406.0487124
Names & identifiers
- Preferred name
- [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3,5-dichlorobenzoate
- IUPAC
- [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3,5-dichlorobenzoate
Names & synonyms
MLS002245978[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3,5-dichlorobenzoateSMR001309606CHEMBL1553908BDBM80807cid_4787553DTXSID901323840HMS3075C24AKOS000855016852908-07-7Z184036782-(2,2-Dimethyl-3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)-2-oxoethyl 3,5-dichlorobenzoate
Show more names
3,5-dichlorobenzoic acid [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] ester3,5-dichlorobenzoic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 3,5-bis(chloranyl)benzoate
Database identifiers
- CAS
852908-07-7- PubChem CID
- 4787553
- DTXSID
DTXSID901323840- ChEMBL
CHEMBL1553908
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 603
Experimental & physicochemical properties
Solubility2.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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