(E)-3-[5-(2-bromo-4-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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![(E)-3-[5-(2-bromo-4-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0832dc87befa44b681e431547872c479.png "(E)-3-[5-(2-bromo-4-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid")
(E)-3-[5-(2-bromo-4-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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CAS No:
573949-55-0
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Formula:
C17H14BrN3O3S
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Chemical Name:
(E)-3-[5-(2-bromo-4-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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Synonyms:
STL042621;ZINC17248637;AKOS005695799;AKOS032385078;(2E)-3-[5-(2-bromo-4-methylphenyl)furan-2-yl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate;573949-55-0
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CAS No:
(E)-3-[5-(2-bromo-4-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Basic Attributes
420.3 g/mol
418.99393 g/mol
Computed Properties
Molecular Weight:420.3
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:418.99393
Monoisotopic Mass:418.99393
Topological Polar Surface Area:117
Heavy Atom Count:25
Complexity:521
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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