ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate
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ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate
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CAS No:
865656-85-5
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Formula:
C19H20N2O2S
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Chemical Name:
ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate
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Synonyms:
ethyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]benzoate;865656-85-5;ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate;ZINC2686850;AKOS001761258;MCULE-9761281188;F1601-0241;ethyl 2-(1,2,3,4-tetrahydroisoquinoline-2-carbothioamido)benzoate
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CAS No:
ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate Basic Attributes
340.4 g/mol
340.12454906 g/mol
Computed Properties
Molecular Weight:340.4
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:340.12454906
Monoisotopic Mass:340.12454906
Topological Polar Surface Area:73.7
Heavy Atom Count:24
Complexity:457
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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