butyl 4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
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butyl 4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
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CAS No:
565187-04-4
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Formula:
C21H23N5O3S
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Chemical Name:
butyl 4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
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Synonyms:
ZINC2646981;STL360264;AKOS001052339;MCULE-7159343773;ST51036397;Z20251487;butyl 4-(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate;butyl 4-[2-(4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate;565187-04-4;butyl 4-[({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
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CAS No:
butyl 4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Basic Attributes
425.5 g/mol
425.15216079 g/mol
Computed Properties
Molecular Weight:425.5
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:425.15216079
Monoisotopic Mass:425.15216079
Topological Polar Surface Area:124
Heavy Atom Count:30
Complexity:553
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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