N-Methyl-N-[1-[(4-nitrophenyl)methyl]-2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-5-isoquinolinesulfonamide

Base Information

• Chemical Name: N-Methyl-N-[1-[(4-nitrophenyl)methyl]-2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-5-isoquinolinesulfonamide
• CAS No.: 130990-27-1
• Molecular Formula: C29H29N5O5S
• DSSTox Substance ID: DTXSID901112736

Synonyms:SCHEMBL9483134;DTXSID901112736;130990-27-1;N-Methyl-N-[1-[(4-nitrophenyl)methyl]-2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-5-isoquinolinesulfonamide

Chemical Property of N-Methyl-N-[1-[(4-nitrophenyl)methyl]-2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-5-isoquinolinesulfonamide

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 559.18894022
• Heavy Atom Count: 40
• Complexity: 962

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• Canonical SMILES: CN(C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

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