6-[4-(1,3-benzoxazol-2-yl)phenyl]-5H-dibenzo[c,e]azepine-5,7(6H)-dione

Base Information

• Chemical Name: 6-[4-(1,3-benzoxazol-2-yl)phenyl]-5H-dibenzo[c,e]azepine-5,7(6H)-dione
• CAS No.: 5749-40-6
• Molecular Formula: C27H16N2O3
• Molecular Weight: 416.4
• DSSTox Substance ID: DTXSID90367391
• Wikidata: Q82153202

Synonyms:6-[4-(1,3-benzoxazol-2-yl)phenyl]-5H-dibenzo[c,e]azepine-5,7(6H)-dione;5749-40-6;ST031394;Oprea1_576982;DTXSID90367391;STK731727;AKOS000642442;SR-01000519734;SR-01000519734-1

Chemical Property of 6-[4-(1,3-benzoxazol-2-yl)phenyl]-5H-dibenzo[c,e]azepine-5,7(6H)-dione

Chemical Property:

• Vapor Pressure: 3.92E-16mmHg at 25°C
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 416.11609238
• Heavy Atom Count: 32
• Complexity: 684

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• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)C5=NC6=CC=CC=C6O5

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