methyl 4-[[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
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methyl 4-[[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
structure -
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CAS No:
849028-01-9
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Formula:
C21H22N4O3S
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Chemical Name:
methyl 4-[[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
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Synonyms:
ZINC2453735;STK727788;AKOS005525421;MCULE-3560688508;ST50413542;methyl 4-{2-[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zoate;849028-01-9;methyl 4-[({[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
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CAS No:
methyl 4-[[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Basic Attributes
410.5 g/mol
410.14126175 g/mol
Computed Properties
Molecular Weight:410.5
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:410.14126175
Monoisotopic Mass:410.14126175
Topological Polar Surface Area:111
Heavy Atom Count:29
Complexity:556
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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