4-[(1S)-1-[[5-chloro-2-(3-chlorophenoxy)benzoyl]amino]ethyl]benzoic Acid

Base Information

• Chemical Name: 4-[(1S)-1-[[5-chloro-2-(3-chlorophenoxy)benzoyl]amino]ethyl]benzoic Acid
• CAS No.: 847728-03-4
• Molecular Formula: C22H17Cl2NO4
• ChEMBL ID: CHEMBL4095176
• DSSTox Substance ID: DTXSID201149760

Synonyms:CHEMBL4095176;4-[(1S)-1-[[5-chloro-2-(3-chlorophenoxy)benzoyl]amino]ethyl]benzoic Acid;SCHEMBL691772;DTXSID201149760;BDBM50232556;847728-03-4

Chemical Property of 4-[(1S)-1-[[5-chloro-2-(3-chlorophenoxy)benzoyl]amino]ethyl]benzoic Acid

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 429.0534634
• Heavy Atom Count: 29
• Complexity: 567

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Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)Cl)OC3=CC(=CC=C3)Cl
• Isomeric SMILES: C[C@@H](C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)Cl)OC3=CC(=CC=C3)Cl

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