(1R,9S)-11-propanoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Base Information

• Chemical Name: (1R,9S)-11-propanoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• CAS No.: 474116-07-9
• Molecular Formula: C₁₄H₁₈N₂O₂
• Molecular Weight: 246.309
• DSSTox Substance ID: DTXSID701119293
• Nikkaji Number: J1.792.744B

Synonyms:DTXSID701119293;474116-07-9;(1R,5S)-1,2,3,4,5,6-Hexahydro-3-(1-oxopropyl)-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one

Chemical Property of (1R,9S)-11-propanoyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 246.136827821
• Heavy Atom Count: 18
• Complexity: 453

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)N1CC2CC(C1)C3=CC=CC(=O)N3C2
• Isomeric SMILES: CCC(=O)N1C[C@@H]2C[C@H](C1)C3=CC=CC(=O)N3C2

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