1169705-95-6 | 9-(tert-Butyl)-7,12-dihydrobenzo[2,3]azepino[4,5-b]indol-6(5h)-one

Availability
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Description

• Catalog Number: AI10787
• Chemical Name: 9-(tert-Butyl)-7,12-dihydrobenzo[2,3]azepino[4,5-b]indol-6(5h)-one
• CAS Number: 1169705-95-6
• Molecular Formula: C20H20N2O
• Molecular Weight: 304.3856
• MDL Number: MFCD29917024
• SMILES: O=C1Nc2ccccc2-c2c(C1)c1cc(ccc1[nH]2)C(C)(C)C

Computed Properties

• Complexity: 469
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 23
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 4.2

Upstream Synthesis Route

9-(Tert-Butyl)-7,12-Dihydrobenzo[2,3]Azepino[4,5-B]Indol-6(5H)-One is a versatile compound widely utilized in chemical synthesis for its unique structural properties. In organic chemistry, it serves as a key intermediate in the development of novel pharmaceuticals, agrochemicals, and materials due to its functional groups and reactivity. Its bicyclic framework with a heterocyclic core offers a diverse range of synthetic possibilities, making it a valuable building block for the creation of complex molecules. Researchers often incorporate this compound into synthetic routes to access diverse chemical space and achieve targeted molecular structures with specific biological activities. Its strategic placement within organic synthesis schemes enables the construction of intricate molecular architectures, making it a valuable tool in medicinal chemistry and drug discovery.