[2-bromo-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] furan-2-carboxylate
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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]phenyl] furan-2-carboxylate
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CAS No:
847368-55-2
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Formula:
C22H12BrN5O4S
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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]phenyl] furan-2-carboxylate
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Synonyms:
C22H12BrN5O4S;ZINC2235022;STL236645;AKOS025276080;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}phenyl furan-2-carboxylate;847368-55-2
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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]phenyl] furan-2-carboxylate Basic Attributes
522.3 g/mol
520.97934 g/mol
Computed Properties
Molecular Weight:522.3
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:520.97934
Monoisotopic Mass:520.97934
Topological Polar Surface Area:147
Heavy Atom Count:33
Complexity:938
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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