[2-chloro-4-[(E)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] 3-methoxybenzoate
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[2-chloro-4-[(E)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] 3-methoxybenzoate
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CAS No:
844831-36-3
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Formula:
C26H18ClN5O5S
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Chemical Name:
[2-chloro-4-[(E)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] 3-methoxybenzoate
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Synonyms:
C26H18ClN5O5S;STL236023;AKOS025275599;ZINC101102289;(E)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl 3-methoxybenzoate;2-chloro-4-{(E)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-6-methoxyphenyl 3-methoxybenzoate;844831-36-3
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CAS No:
[2-chloro-4-[(E)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] 3-methoxybenzoate Basic Attributes
548.0 g/mol
547.0717176 g/mol
Computed Properties
Molecular Weight:548.0
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:547.0717176
Monoisotopic Mass:547.0717176
Topological Polar Surface Area:152
Heavy Atom Count:38
Complexity:1050
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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