methyl 2-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
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methyl 2-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
structure -
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CAS No:
575460-64-9
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Formula:
C19H19N5O3S
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Chemical Name:
methyl 2-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
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Synonyms:
ZINC2842939;AKOS000647772;MCULE-2237930262;ST50273842;AH-487/42271954;Z16262378;methyl 2-(2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate;methyl 2-[2-(4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate;575460-64-9;methyl 2-[({[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
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CAS No:
methyl 2-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Basic Attributes
397.5 g/mol
397.12086066 g/mol
Computed Properties
Molecular Weight:397.5
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:397.12086066
Monoisotopic Mass:397.12086066
Topological Polar Surface Area:124
Heavy Atom Count:28
Complexity:532
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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