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4-(2,6-diethylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione

4-(2,6-diethylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione structure

CAS No:
749876-62-8
Formula:
C27H29N5S
Chemical Name:
4-(2,6-diethylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione
Synonyms:
ZINC2644352;AKOS034336234;MCULE-2714750223;Z44089868;4-(2,6-diethylphenyl)-3-(pyridin-3-yl)-1-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione;749876-62-8

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4-(2,6-diethylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Basic Attributes

Molecular Weight：

455.6 g/mol

Exact Mass：

455.21436712 g/mol

Characteristics

PSA：

67.1 Å²

Computed Properties

Molecular Weight:455.6
XLogP3:5.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:455.21436712
Monoisotopic Mass:455.21436712
Topological Polar Surface Area:67.1
Heavy Atom Count:33
Complexity:699
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(2,6-diethylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione

Basic Attributes
Characteristics
Computed Properties

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