3,6-Diazabicyclo[3.2.0]heptane, 3-(5,6-dichloro-3-pyridinyl)-, (1S,5S)-, Monobenzenesulfonate
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3,6-Diazabicyclo[3.2.0]heptane, 3-(5,6-dichloro-3-pyridinyl)-, (1S,5S)-, Monobenzenesulfonate
structure -
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CAS No:
876170-44-4
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Formula:
C16H17Cl2N3O3S
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Chemical Name:
3,6-Diazabicyclo[3.2.0]heptane, 3-(5,6-dichloro-3-pyridinyl)-, (1S,5S)-, Monobenzenesulfonate
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Synonyms:
Sofinicline benzenesulfonate;UNII-G889I438OQ;G889I438OQ;Sofinicline benzenesulfonate [USAN];A-422894.112;Sofinicline benzenesulfonate (USAN);SCHEMBL1384109;CHEMBL2105654;DTXSID501007703;D09383
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CAS No:
3,6-Diazabicyclo[3.2.0]heptane, 3-(5,6-dichloro-3-pyridinyl)-, (1S,5S)-, Monobenzenesulfonate Basic Attributes
402.29548
401.037
-0
G889I438OQ
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
3,6-Diazabicyclo[3.2.0]heptane, 3-(5,6-dichloro-3-pyridinyl)-, (1S,5S)-, Monobenzenesulfonate
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