2-[4-[3-(Morpholine-4-carbonyl)phenyl]phenyl]sulfonylacetic acid
Basic information
- CAS
653588-65-9- Standard SMILES
O=C(O)CS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCOCC3)c2)cc1- InChIKey
UCMBDRQALYRYLV-UHFFFAOYSA-N- Molecular formula
- C19H19NO6S
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.0933085
Names & identifiers
- Preferred name
- 2-[4-[3-(Morpholine-4-carbonyl)phenyl]phenyl]sulfonylacetic acid
- IUPAC
- 2-[4-[3-(morpholine-4-carbonyl)phenyl]phenyl]sulfonylacetic acid
Names & synonyms
2-[4-[3-(morpholine-4-carbonyl)phenyl]phenyl]sulfonylacetic acidCHEMBL174590653588-65-9DTXSID60333649BDBM50137893Acetic acid, [[3'-(4-morpholinylcarbonyl)[1,1'-biphenyl]-4-yl]sulfonyl]-[3''-(Morpholine-4-carbonyl)-biphenyl-4-sulfonyl]-acetic acid[3'-(Morpholine-4-carbonyl)[1,1'-biphenyl]-4-sulfonyl]acetic acid
Database identifiers
- CAS
653588-65-9- PubChem CID
- 515150
- DTXSID
DTXSID60333649- ChEMBL
CHEMBL174590
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 629
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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