4H-Isoindol-4-one, octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-, (3aS-cis)-

Base Information

• Chemical Name: 4H-Isoindol-4-one, octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-, (3aS-cis)-
• CAS No.: 146610-76-6
• Molecular Formula: C29H30 N2 O2
• UNII: 5B491RN7N2
• Nikkaji Number: J536.001C
• Wikidata: Q27261774

Synonyms:7,7-diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one;RP 67580;RP 68651;RP-67580;RP-68651

Chemical Property of 4H-Isoindol-4-one, octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-, (3aS-cis)-

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 438.230728204
• Heavy Atom Count: 33
• Complexity: 676

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1CC(=N)N2CC3C(C2)C(CCC3=O)(C4=CC=CC=C4)C5=CC=CC=C5
• Isomeric SMILES: COC1=CC=CC=C1CC(=N)N2C[C@@H]3[C@H](C2)C(CCC3=O)(C4=CC=CC=C4)C5=CC=CC=C5

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