[2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] 3-methylbenzoate
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[2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] 3-methylbenzoate
structure -
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CAS No:
848207-96-5
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Formula:
C26H18ClN5O4S
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Chemical Name:
[2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] 3-methylbenzoate
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Synonyms:
STL238636;AKOS025277601;ZINC101156383;2-chloro-4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-6-methoxyphenyl 3-methylbenzoate;848207-96-5
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CAS No:
[2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] 3-methylbenzoate Basic Attributes
532.0 g/mol
531.0768029 g/mol
Computed Properties
Molecular Weight:532.0
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:531.0768029
Monoisotopic Mass:531.0768029
Topological Polar Surface Area:143
Heavy Atom Count:37
Complexity:1030
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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