1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(1H-indol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
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![1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(1H-indol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bf7224b393914dbbbf722277143bb480.png "1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(1H-indol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone")
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(1H-indol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
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CAS No:
380423-20-1
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Formula:
C27H23N5OS
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Chemical Name:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(1H-indol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
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Synonyms:
Oprea1_288908;ZINC3264173;AKOS033663376;MCULE-1101129886;Z19156929;2-{[5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one;380423-20-1
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CAS No:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(1H-indol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Basic Attributes
465.6 g/mol
465.16233155 g/mol
Computed Properties
Molecular Weight:465.6
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:465.16233155
Monoisotopic Mass:465.16233155
Topological Polar Surface Area:92.1
Heavy Atom Count:34
Complexity:703
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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