[4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 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]phenyl] 3,4-dimethoxybenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ca0c190f132e4f1d8e906e74271367c5.png "[4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 3,4-dimethoxybenzoate")
[4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 3,4-dimethoxybenzoate
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CAS No:
845799-80-6
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Formula:
C26H19N5O5S
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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]phenyl] 3,4-dimethoxybenzoate
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Synonyms:
ZINC9281900;STL161744;AKOS005761282;4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl 3,4-dimethoxybenzoate;845799-80-6
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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]phenyl] 3,4-dimethoxybenzoate Basic Attributes
513.5 g/mol
513.11068990 g/mol
Computed Properties
Molecular Weight:513.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:513.11068990
Monoisotopic Mass:513.11068990
Topological Polar Surface Area:152
Heavy Atom Count:37
Complexity:1010
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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