[2-bromo-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] thiophene-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] thiophene-2-carboxylate
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CAS No:
847339-72-4
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Formula:
C22H12BrN5O3S2
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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] thiophene-2-carboxylate
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Synonyms:
C22H12BrN5O3S2;ZINC4481330;STK659417;AKOS005589881;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 thiophene-2-carboxylate;847339-72-4
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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] thiophene-2-carboxylate Basic Attributes
538.4 g/mol
536.95649 g/mol
Computed Properties
Molecular Weight:538.4
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:536.95649
Monoisotopic Mass:536.95649
Topological Polar Surface Area:162
Heavy Atom Count:33
Complexity:939
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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