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

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

CAS No:
721414-44-4
Formula:
C19H18ClN5OS
Chemical Name:
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Synonyms:
ZINC3266202;AKOS016987373;MCULE-6874430551;AB00715657-01;Z13906795;2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one;721414-44-4

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

Molecular Weight：

399.9 g/mol

Exact Mass：

399.0920591 g/mol

Characteristics

PSA：

102 Å²

Computed Properties

Molecular Weight:399.9
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:399.0920591
Monoisotopic Mass:399.0920591
Topological Polar Surface Area:102
Heavy Atom Count:27
Complexity:518
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[4-amino-5-(4-chlorophenyl)-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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