Tetrahydro-2-oxo-3-furanyl 3-[[(2-methoxyphenyl)-2-propen-1-ylamino]sulfonyl]benzoate
Basic information
- CAS
750641-07-7- Standard SMILES
C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)OC2CCOC2=O)c1- InChIKey
ABTVJGZQQOTBTR-UHFFFAOYSA-N- Molecular formula
- C21H21NO7S
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.10387318
Names & identifiers
- Preferred name
- Tetrahydro-2-oxo-3-furanyl 3-[[(2-methoxyphenyl)-2-propen-1-ylamino]sulfonyl]benzoate
- IUPAC
- (2-oxooxolan-3-yl) 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate
Names & synonyms
Tetrahydro-2-oxo-3-furanyl 3-[[(2-methoxyphenyl)-2-propen-1-ylamino]sulfonyl]benzoate750641-07-7Tetrahydro-2-oxo-3-furanyl 3-(((2-methoxyphenyl)-2-propen-1-ylamino)sulfonyl)benzoateRefChem:384132MLS002248515CHEMBL1724158DTXSID201127774HMS3086G20AKOS033688708SMR001315980SR-01000053610SR-01000053610-1
Show more names
Z195311092-oxooxolan-3-yl 3-[(2-methoxyphenyl)(prop-2-en-1-yl)sulfamoyl]benzoate
Database identifiers
- CAS
750641-07-7- PubChem CID
- 4557147
- DTXSID
DTXSID201127774- ChEMBL
CHEMBL1724158
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 732
Experimental & physicochemical properties
Solubility56.7 [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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