3-(5-Anilino-2-ethoxy-4-methylphenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]-1-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid

Base Information

• Chemical Name: 3-(5-Anilino-2-ethoxy-4-methylphenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]-1-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid
• CAS No.: 70815-14-4
• Molecular Formula: C34H34N2O6
• Molecular Weight: 566.6436
• DSSTox Substance ID: DTXSID00276187,DTXSID90887741
• Nikkaji Number: J446.593H
• Mol file: 70815-14-4.mol

Synonyms:70815-14-4;7356-91-4;3-(4-(Diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-4-methyl-5-(phenylamino)phenyl)-1-oxo-1,3-dihydroisobenzofuran-5-carboxylic acid;5-Isobenzofurancarboxylic acid, 3-[4-(diethylamino)-2-hydroxyphenyl]-3-[2-ethoxy-4-methyl-5-(phenylamino)phenyl]-1,3-dihydro-1-oxo-;3-(5-anilino-2-ethoxy-4-methylphenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]-1-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid;5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-4-methyl-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-;DTXSID00276187;DTXSID90887741;3-[4-(Diethylamino)-2-hydroxyphenyl]-3-[2-ethoxy-4-methyl-5-(phenylamino)phenyl]-1,3-dihydro-1-oxo-5-isobenzofurancarboxylic acid

Chemical Property of 3-(5-Anilino-2-ethoxy-4-methylphenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]-1-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.49E-26mmHg at 25°C
• Boiling Point: 790.4°Cat760mmHg
• Flash Point: 431.8°C
• PSA: 0.00000
• Density: 1.294g/cm³
• LogP: 0.00000
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 566.24168681
• Heavy Atom Count: 42
• Complexity: 922

Purity/Quality:

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• Canonical SMILES: CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C(C(=C4)NC5=CC=CC=C5)C)OCC)O

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