[4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate
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![[4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8a658bdc9dbb408795fc0dc188412ac4.png "[4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate")
[4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate
structure -
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CAS No:
845806-17-9
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Formula:
C27H21N5O6S
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Chemical Name:
[4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate
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Synonyms:
C27H21N5O6S;STL238083;AKOS025277181;ZINC101118443;4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-methoxyphenyl 3,4-dimethoxybenzoate;845806-17-9
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CAS No:
[4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate Basic Attributes
543.6 g/mol
543.12125458 g/mol
Computed Properties
Molecular Weight:543.6
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:543.12125458
Monoisotopic Mass:543.12125458
Topological Polar Surface Area:161
Heavy Atom Count:39
Complexity:1060
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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