[2-bromo-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] methanesulfonate
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![[2-bromo-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] methanesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/710b11dad8fb4049a3bab4ed85776661.png "[2-bromo-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] methanesulfonate")
[2-bromo-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] methanesulfonate
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CAS No:
846579-97-3
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Formula:
C19H14BrN5O5S2
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Chemical Name:
[2-bromo-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] methanesulfonate
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Synonyms:
C19H14BrN5O5S2;ZINC6157280;STL240333;AKOS025278927;2-bromo-4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-6-methoxyphenyl methanesulfonate;846579-97-3
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CAS No:
[2-bromo-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] methanesulfonate Basic Attributes
536.4 g/mol
534.96197 g/mol
Computed Properties
Molecular Weight:536.4
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:534.96197
Monoisotopic Mass:534.96197
Topological Polar Surface Area:168
Heavy Atom Count:32
Complexity:993
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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