2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
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![2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3f0e9970cd4a459f88014f0abe5976e5.png "2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone")
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
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CAS No:
690962-02-8
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Formula:
C15H19N5O3S
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Chemical Name:
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
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Synonyms:
2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone;690962-02-8;CBKinase1_005119;CBKinase1_017519;MLS000049331;CHEMBL1564359;HMS2324P10;ZINC5112199;AKOS000812846;MCULE-2874831275;2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;SMR000075211;VU0180356-6;SR-01000271249;SR-01000271249-1;BRD-K60135663-001-01-2;F3394-0789;3-{[2-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]thio}-1H-1,2,4-triazol-5-amine
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CAS No:
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Basic Attributes
349.4 g/mol
349.12086066 g/mol
Computed Properties
Molecular Weight:349.4
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:349.12086066
Monoisotopic Mass:349.12086066
Topological Polar Surface Area:132
Heavy Atom Count:24
Complexity:443
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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