Basic information
- CAS
380563-30-4- Standard SMILES
COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Br)o1- InChIKey
LPMYKJKGISGJIA-UHFFFAOYSA-N- Molecular formula
- C14H11BrClNO5
- Average molar mass
- 388.6 g/mol
- Monoisotopic mass
- 386.95091
Names & identifiers
- Preferred name
- [2-(5-Chloro-2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate
- IUPAC
- [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate
Names & synonyms
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylateMLS002246261CHEMBL1704661DTXSID601320285HMS3081G08AKOS033613046380563-30-4SMR001309880AB00712531-01Z183691832-(5-Chloro-2-methoxyanilino)-2-oxoethyl 5-bromofuran-2-carboxylate
Database identifiers
- CAS
380563-30-4- PubChem CID
- 2355463
- DTXSID
DTXSID601320285- ChEMBL
CHEMBL1704661
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 411
Experimental & physicochemical properties
Solubility2.6 [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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