methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4,5-dimethoxybenzoate
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methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4,5-dimethoxybenzoate
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CAS No:
831246-83-4
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Formula:
C20H22N2O4S
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Chemical Name:
methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4,5-dimethoxybenzoate
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Synonyms:
ZINC2435154;STK868374;AKOS002314344;MCULE-9006960450;ST50766113;SR-01000296480;SR-01000296480-1;methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate;methyl 4,5-dimethoxy-2-[(2-1,2,3,4-tetrahydroisoquinolylthioxomethyl)amino]ben zoate;831246-83-4
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CAS No:
methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4,5-dimethoxybenzoate Basic Attributes
386.5 g/mol
386.13002836 g/mol
Computed Properties
Molecular Weight:386.5
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:386.13002836
Monoisotopic Mass:386.13002836
Topological Polar Surface Area:92.1
Heavy Atom Count:27
Complexity:532
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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