[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate
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![[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3da5a15efc5e4a7989c47324625a86ec.png "[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate")
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate
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CAS No:
389608-84-8
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Formula:
C25H19NO6S
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Chemical Name:
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate
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Synonyms:
Oprea1_226893;ZINC3227511;AKOS033710485;MCULE-6398564455;Z19802692;2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl 9,10,10-trioxo-9H-10lambda6-thioxanthene-3-carboxylate;389608-84-8
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CAS No:
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate Basic Attributes
461.5 g/mol
461.09330850 g/mol
Computed Properties
Molecular Weight:461.5
XLogP3:3.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:461.09330850
Monoisotopic Mass:461.09330850
Topological Polar Surface Area:106
Heavy Atom Count:33
Complexity:895
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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