Methyl I+/--[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl](phenylmethyl)amino]benzeneacetate

Base Information

• Chemical Name: Methyl I+/--[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl](phenylmethyl)amino]benzeneacetate
• CAS No.: 195070-60-1
• Molecular Formula: C28H29NO4S
• DSSTox Substance ID: DTXSID201122798

Synonyms:DTXSID201122798;195070-60-1;Methyl I+/--[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl](phenylmethyl)amino]benzeneacetate

Chemical Property of Methyl I+/--[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl](phenylmethyl)amino]benzeneacetate

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 475.18172958
• Heavy Atom Count: 34
• Complexity: 651

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• Canonical SMILES: CC(=O)SCC(CC1=CC=CC=C1)C(=O)N(CC2=CC=CC=C2)C(C3=CC=CC=C3)C(=O)OC

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