[2-ethoxy-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-methylbenzoate
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[2-ethoxy-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-methylbenzoate
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CAS No:
845989-19-7
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Formula:
C27H21N5O4S
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Chemical Name:
[2-ethoxy-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-methylbenzoate
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Synonyms:
ZINC9282121;STL239966;AKOS025278649;2-ethoxy-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-methylbenzoate;845989-19-7
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CAS No:
[2-ethoxy-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-methylbenzoate Basic Attributes
511.6 g/mol
511.13142534 g/mol
Computed Properties
Molecular Weight:511.6
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:511.13142534
Monoisotopic Mass:511.13142534
Topological Polar Surface Area:143
Heavy Atom Count:37
Complexity:1000
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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