(6Z)-6-[[4-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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(6Z)-6-[[4-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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CAS No:
848735-60-4
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Formula:
C27H22ClN5O3S
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Chemical Name:
(6Z)-6-[[4-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
STL236933;AKOS025276300;ZINC100945432;(6Z)-6-{4-[3-(4-chloro-3-methylphenoxy)propoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;848735-60-4
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CAS No:
(6Z)-6-[[4-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
532.0 g/mol
531.1131884 g/mol
Computed Properties
Molecular Weight:532.0
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:531.1131884
Monoisotopic Mass:531.1131884
Topological Polar Surface Area:126
Heavy Atom Count:37
Complexity:948
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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