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Home > Encyclopedia > 3,6-Diazabicyclo[3.2.0]heptane, 3-(5,6-dichloro-3-pyridinyl)-, (1S,5S)-, Monobenzenesulfonate

3,6-Diazabicyclo[3.2.0]heptane, 3-(5,6-dichloro-3-pyridinyl)-, (1S,5S)-, Monobenzenesulfonate

3,6-Diazabicyclo[3.2.0]heptane, 3-(5,6-dichloro-3-pyridinyl)-, (1S,5S)-, Monobenzenesulfonate structure

3,6-Diazabicyclo[3.2.0]heptane, 3-(5,6-dichloro-3-pyridinyl)-, (1S,5S)-, Monobenzenesulfonate 

structure
  • CAS No:

    876170-44-4

  • Formula:

    C16H17Cl2N3O3S

  • Chemical Name:

    3,6-Diazabicyclo[3.2.0]heptane, 3-(5,6-dichloro-3-pyridinyl)-, (1S,5S)-, Monobenzenesulfonate

  • Synonyms:

    Sofinicline benzenesulfonate;UNII-G889I438OQ;G889I438OQ;Sofinicline benzenesulfonate [USAN];A-422894.112;Sofinicline benzenesulfonate (USAN);SCHEMBL1384109;CHEMBL2105654;DTXSID501007703;D09383

3,6-Diazabicyclo[3.2.0]heptane, 3-(5,6-dichloro-3-pyridinyl)-, (1S,5S)-, Monobenzenesulfonate Basic Attributes

402.29548

401.037

-0

G889I438OQ

Characteristics

90.9

Computed Properties

Molecular Weight:402.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:401.0367680
Monoisotopic Mass:401.0367680
Topological Polar Surface Area:90.9
Heavy Atom Count:25
Complexity:434
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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