2-methoxy-5-[[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]methyl]benzoic acid
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2-methoxy-5-[[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]methyl]benzoic acid
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CAS No:
796107-21-6
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Formula:
C19H16N4O4S2
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Chemical Name:
2-methoxy-5-[[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]methyl]benzoic acid
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Synonyms:
ZINC3372468;AKOS033737742;MCULE-9173073286;SR-01000061872;SR-01000061872-1;Z20238579;2-methoxy-5-[(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)methyl]benzoic acid;796107-21-6
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CAS No:
2-methoxy-5-[[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]methyl]benzoic acid Basic Attributes
428.5 g/mol
428.06129735 g/mol
Computed Properties
Molecular Weight:428.5
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:428.06129735
Monoisotopic Mass:428.06129735
Topological Polar Surface Area:159
Heavy Atom Count:29
Complexity:613
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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