ethyl 4-(8-methoxy-4,4-dimethyl-1-thioxo-4,5-dihydroisothiazolo[5,4-c]quinolin-2(1H)-yl)benzoate
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ethyl 4-(8-methoxy-4,4-dimethyl-1-thioxo-4,5-dihydroisothiazolo[5,4-c]quinolin-2(1H)-yl)benzoate
structure -
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CAS No:
330832-90-1
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Formula:
C22H22N2O3S2
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Chemical Name:
ethyl 4-(8-methoxy-4,4-dimethyl-1-thioxo-4,5-dihydroisothiazolo[5,4-c]quinolin-2(1H)-yl)benzoate
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Synonyms:
Oprea1_208545;Oprea1_750795;ZINC651301;STK085677;AKOS000620257;CCG-107744;MCULE-8993144442;EU-0040029;ST50241711;AG-690/12248043
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CAS No:
ethyl 4-(8-methoxy-4,4-dimethyl-1-thioxo-4,5-dihydroisothiazolo[5,4-c]quinolin-2(1H)-yl)benzoate Basic Attributes
426.55168
426.107
Computed Properties
Molecular Weight:426.6
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:426.10718492
Monoisotopic Mass:426.10718492
Topological Polar Surface Area:108
Heavy Atom Count:29
Complexity:700
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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