2-[(5-Methyl-3-isoxazolyl)amino]-2-oxoethyl 3-[[(4-methoxyphenyl)amino]sulfonyl]benzoate
Basic information
- CAS
744245-07-6- Standard SMILES
COc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3cc(C)on3)c2)cc1- InChIKey
PTJLNRUDBWMPDY-UHFFFAOYSA-N- Molecular formula
- C20H19N3O7S
- Average molar mass
- 445.4 g/mol
- Monoisotopic mass
- 445.09437113
Names & identifiers
- Preferred name
- 2-[(5-Methyl-3-isoxazolyl)amino]-2-oxoethyl 3-[[(4-methoxyphenyl)amino]sulfonyl]benzoate
- IUPAC
- [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate
Names & synonyms
SMR000155211MLS000569780MLS003913913CHEMBL1902203DTXSID001123669HMS2347D03AKOS0024706982-[(5-Methyl-3-isoxazolyl)amino]-2-oxoethyl 3-[[(4-methoxyphenyl)amino]sulfonyl]benzoate744245-07-6AB00457167-08Z182832762-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate
Database identifiers
- CAS
744245-07-6- PubChem CID
- 2098151
- DTXSID
DTXSID001123669- ChEMBL
CHEMBL1902203
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 719
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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