[4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxyphenyl] 3-methoxybenzoate
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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-methoxybenzoate
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CAS No:
848918-59-2
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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]-2-methoxyphenyl] 3-methoxybenzoate
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Synonyms:
ZINC9210625;STL234890;AKOS025274672;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-methoxybenzoate;848918-59-2
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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-methoxybenzoate 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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