methyl 4-[[2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
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methyl 4-[[2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
structure -
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CAS No:
579444-10-3
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Formula:
C17H16N6O3S
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Chemical Name:
methyl 4-[[2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
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Synonyms:
ZINC2396347;STL342137;AKOS002188699;MCULE-5474059989;ST50084281;methyl 4-[2-(4-amino-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate;579444-10-3;methyl 4-[({[4-amino-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
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CAS No:
methyl 4-[[2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Basic Attributes
384.4 g/mol
384.10045957 g/mol
Computed Properties
Molecular Weight:384.4
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:384.10045957
Monoisotopic Mass:384.10045957
Topological Polar Surface Area:150
Heavy Atom Count:27
Complexity:517
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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