[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate
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[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate
structure -
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CAS No:
763093-26-1
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Formula:
C21H18N2O5S2
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Chemical Name:
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate
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Synonyms:
ZINC2625325;AKOS033421993;MCULE-2080790789;Z15513085;2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate;763093-26-1
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CAS No:
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Basic Attributes
442.5 g/mol
442.06571403 g/mol
Computed Properties
Molecular Weight:442.5
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:442.06571403
Monoisotopic Mass:442.06571403
Topological Polar Surface Area:148
Heavy Atom Count:30
Complexity:649
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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