[4-[[[3-(4-Chlorophenyl)-5-isoxazolyl]amino]carbonyl]benzyl]phosphonic acid diethyl ester

Base Information

• Chemical Name: [4-[[[3-(4-Chlorophenyl)-5-isoxazolyl]amino]carbonyl]benzyl]phosphonic acid diethyl ester
• CAS No.: 169293-89-4
• Molecular Formula: C21H22ClN2O5P
• DSSTox Substance ID: DTXSID801113343
• Nikkaji Number: J1.565.703K
• ChEMBL ID: CHEMBL75096
• Mol file: 169293-89-4.mol

Synonyms:CHEMBL75096;DTXSID801113343;[4-[[[3-(4-Chlorophenyl)-5-isoxazolyl]amino]carbonyl]benzyl]phosphonic acid diethyl ester;169293-89-4;Phosphonic acid, [[4-[[[3-(4-chlorophenyl)-5-isoxazolyl]amino]carbonyl]phenyl]methyl]-, diethyl ester

Chemical Property of [4-[[[3-(4-Chlorophenyl)-5-isoxazolyl]amino]carbonyl]benzyl]phosphonic acid diethyl ester

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 448.0954865
• Heavy Atom Count: 30
• Complexity: 584

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MSDS Files:

Useful:

• Canonical SMILES: CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC2=CC(=NO2)C3=CC=C(C=C3)Cl)OCC

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