4H-1-Benzopyran-4-one, 8-(2-(4-(4-(4-fluorophenyl)butoxy)phenyl)ethenyl)-2-(1H-tetrazol-5-yl)-, (E)-

Base Information

• Chemical Name: 4H-1-Benzopyran-4-one, 8-(2-(4-(4-(4-fluorophenyl)butoxy)phenyl)ethenyl)-2-(1H-tetrazol-5-yl)-, (E)-
• CAS No.: 197506-04-0
• Molecular Formula: C28H23FN4O3
• UNII: A444JV3EJ0
• Wikidata: Q27273603

Synonyms:8-(2-(E)-(4-(4-(4-fluorophenyl)butyloxy)phenyl)vinyl)-4-oxo-2-(5-1H-tetrazolyl)-4H-1-benzopyran sodium salt;MEN91507

Chemical Property of 4H-1-Benzopyran-4-one, 8-(2-(4-(4-(4-fluorophenyl)butoxy)phenyl)ethenyl)-2-(1H-tetrazol-5-yl)-, (E)-

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 482.17541877
• Heavy Atom Count: 36
• Complexity: 777

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• Canonical SMILES: C1=CC(=C2C(=C1)C(=O)C=C(O2)C3=NNN=N3)C=CC4=CC=C(C=C4)OCCCCC5=CC=C(C=C5)F
• Isomeric SMILES: C1=CC(=C2C(=C1)C(=O)C=C(O2)C3=NNN=N3)/C=C/C4=CC=C(C=C4)OCCCCC5=CC=C(C=C5)F

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