1-[12-amino-10-(1,3-benzodioxol-5-yl)-14-thia-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-13-yl]ethanone
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1-[12-amino-10-(1,3-benzodioxol-5-yl)-14-thia-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-13-yl]ethanone
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CAS No:
879597-90-7
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Formula:
C23H16N2O3S
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Chemical Name:
1-[12-amino-10-(1,3-benzodioxol-5-yl)-14-thia-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-13-yl]ethanone
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Synonyms:
1-[3-amino-4-(1,3-benzodioxol-5-yl)-5H-indeno[1,2-b]thieno[3,2-e]pyridin-2-yl]ethanone;ZINC2229354;STK228775;AKOS002206204;MCULE-1309836741;ST50129880;4-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-acetyl-3-aminoindeno[2,3-e]thiopheno[2, 3-b]pyridine;879597-90-7
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CAS No:
1-[12-amino-10-(1,3-benzodioxol-5-yl)-14-thia-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-13-yl]ethanone Basic Attributes
400.5 g/mol
400.08816355 g/mol
Computed Properties
Molecular Weight:400.5
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:400.08816355
Monoisotopic Mass:400.08816355
Topological Polar Surface Area:103
Heavy Atom Count:29
Complexity:662
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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