methyl 4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
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methyl 4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
structure -
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CAS No:
338425-42-6
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Formula:
C18H17N5O3S
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Chemical Name:
methyl 4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
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Synonyms:
SMR000010989;4-[2-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-benzoic acid methyl ester;BAS 02054442;MLS000035799;MLS002536260;CHEMBL1504662;HMS2400D20;ZINC897197;STL360222;AKOS000589214;MCULE-9069601390;ST50082715;methyl 4-[2-(4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoat e;338425-42-6;methyl 4-[({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
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CAS No:
methyl 4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Basic Attributes
383.4 g/mol
383.10521059 g/mol
Computed Properties
Molecular Weight:383.4
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:383.10521059
Monoisotopic Mass:383.10521059
Topological Polar Surface Area:124
Heavy Atom Count:27
Complexity:509
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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