3-(1,1,3-trioxo-2-phenyl-4,5-dihydro-1λ6,5-benzothiazepin-4-yl)butanoic acid
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3-(1,1,3-trioxo-2-phenyl-4,5-dihydro-1λ6,5-benzothiazepin-4-yl)butanoic acid
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CAS No:
43093-09-0
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Formula:
C19H19NO5S
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Chemical Name:
3-(1,1,3-trioxo-2-phenyl-4,5-dihydro-1λ6,5-benzothiazepin-4-yl)butanoic acid
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Synonyms:
NSC180544;43093-09-0;DTXSID00306832;NSC-180544
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CAS No:
3-(1,1,3-trioxo-2-phenyl-4,5-dihydro-1λ6,5-benzothiazepin-4-yl)butanoic acid Basic Attributes
373.4 g/mol
373.09839388 g/mol
180544
DTXSID00306832
Computed Properties
Molecular Weight:373.4
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:373.09839388
Monoisotopic Mass:373.09839388
Topological Polar Surface Area:109
Heavy Atom Count:26
Complexity:635
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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