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Home > Encyclopedia > ethyl 4-(8-methoxy-4,4-dimethyl-1-thioxo-4,5-dihydroisothiazolo[5,4-c]quinolin-2(1H)-yl)benzoate

ethyl 4-(8-methoxy-4,4-dimethyl-1-thioxo-4,5-dihydroisothiazolo[5,4-c]quinolin-2(1H)-yl)benzoate

ethyl 4-(8-methoxy-4,4-dimethyl-1-thioxo-4,5-dihydroisothiazolo[5,4-c]quinolin-2(1H)-yl)benzoate structure

ethyl 4-(8-methoxy-4,4-dimethyl-1-thioxo-4,5-dihydroisothiazolo[5,4-c]quinolin-2(1H)-yl)benzoate 

structure
  • CAS No:

    330832-90-1

  • Formula:

    C22H22N2O3S2

  • Chemical Name:

    ethyl 4-(8-methoxy-4,4-dimethyl-1-thioxo-4,5-dihydroisothiazolo[5,4-c]quinolin-2(1H)-yl)benzoate

  • Synonyms:

    Oprea1_208545;Oprea1_750795;ZINC651301;STK085677;AKOS000620257;CCG-107744;MCULE-8993144442;EU-0040029;ST50241711;AG-690/12248043

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

Characteristics

108

4.2

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

Guide of ethyl 4-(8-methoxy-4,4-dimethyl-1-thioxo-4,5-dihydroisothiazolo[5,4-c]quinolin-2(1H)-yl)benzoate

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