2-Amino-2-(5-(5-(4-bromo-3-chlorophenyl)-1,2,4-oxadiazol-3-yl)benzofuran-2-yl)propane-1,3-diol
Basic information
- Standard SMILES
NC(CO)(CO)c1cc2cc(-c3noc(-c4ccc(Br)c(Cl)c4)n3)ccc2o1- InChIKey
NYXKQRIGTIBHSA-UHFFFAOYSA-N- Molecular formula
- C19H15BrClN3O4
- Average molar mass
- 464.7 g/mol
- Monoisotopic mass
- 462.99345
Names & identifiers
- Preferred name
- 2-Amino-2-(5-(5-(4-bromo-3-chlorophenyl)-1,2,4-oxadiazol-3-yl)benzofuran-2-yl)propane-1,3-diol
- IUPAC
- 2-amino-2-[5-[5-(4-bromo-3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-benzofuran-2-yl]propane-1,3-diol
Names & synonyms
2-Amino-2-(5-(5-(4-bromo-3-chlorophenyl)-1,2,4-oxadiazol-3-yl)benzofuran-2-yl)propane-1,3-diolSCHEMBL176953CHEMBL5831364NYXKQRIGTIBHSA-UHFFFAOYSA-NBDBM255787US9707205, 38
Database identifiers
- PubChem CID
- 46199833
- ChEMBL
CHEMBL5831364
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 543
Related reactions
2 records
Compound notes
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