[4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-tert-butylbenzoate
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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] 4-tert-butylbenzoate
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CAS No:
846580-24-3
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Formula:
C28H23N5O3S
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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] 4-tert-butylbenzoate
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Synonyms:
ZINC9304702;STL233557;AKOS025273633;4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl 4-tert-butylbenzoate;846580-24-3
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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] 4-tert-butylbenzoate Basic Attributes
509.6 g/mol
509.15216079 g/mol
Computed Properties
Molecular Weight:509.6
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:509.15216079
Monoisotopic Mass:509.15216079
Topological Polar Surface Area:133
Heavy Atom Count:37
Complexity:1010
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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