 Home > Encyclopedia > 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone structure

CAS No:
851624-78-7
Formula:
C26H22N4O3S
Chemical Name:
2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Synonyms:
ZINC3363115;AKOS033478669;MCULE-8564188593;Z16254837;2-{[5-(2H-1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one;851624-78-7

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2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Basic Attributes

Molecular Weight：

470.5 g/mol

Exact Mass：

470.14126175 g/mol

Characteristics

PSA：

94.8 Å²

Computed Properties

Molecular Weight:470.5
XLogP3:4.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:470.14126175
Monoisotopic Mass:470.14126175
Topological Polar Surface Area:94.8
Heavy Atom Count:34
Complexity:708
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Basic Attributes
Characteristics
Computed Properties

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