5-bromo-N'-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]thiophene-2-carbohydrazide
Basic information
- CAS
876864-10-7- Standard SMILES
O=C(Cc1coc2cc(O)ccc12)NNC(=O)c1ccc(Br)s1- InChIKey
QUURFYYUWVKFKX-UHFFFAOYSA-N- Molecular formula
- C15H11BrN2O4S
- Average molar mass
- 395.2 g/mol
- Monoisotopic mass
- 393.96229
Names & identifiers
- Preferred name
- 5-bromo-N'-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]thiophene-2-carbohydrazide
- IUPAC
- 5-bromo-N'-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]thiophene-2-carbohydrazide
Names & synonyms
MLS002252911CHEMBL1903716DTXSID001331012HMS3040L215-bromo-N'-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]thiophene-2-carbohydrazideAKOS034181770SMR001315245Z322044925-Bromo-N'-[(6-hydroxy-1-benzofuran-3-yl)acetyl]thiophene-2-carbohydrazide876864-10-7
Database identifiers
- CAS
876864-10-7- PubChem CID
- 8902835
- DTXSID
DTXSID001331012- ChEMBL
CHEMBL1903716
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 467
Experimental & physicochemical properties
Solubility33.7 [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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