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N-(2-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide structure

CAS No:
585560-58-3
Formula:
C21H25N5OS
Chemical Name:
N-(2-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Synonyms:
N-(2-tert-butylphenyl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide;585560-58-3;ZINC2384207;STL341574;AKOS002188421;MCULE-5907076894;ST50081139;Z16261717;N-[2-(tert-butyl)phenyl]-2-(4-ethyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))acet amide;N-(2-(tert-Butyl)phenyl)-2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide;N-(2-tert-butylphenyl)-2-{[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-(2-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Basic Attributes

Molecular Weight：

395.5 g/mol

Exact Mass：

395.17798161 g/mol

Characteristics

PSA：

98 Å²

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:395.5
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:395.17798161
Monoisotopic Mass:395.17798161
Topological Polar Surface Area:98
Heavy Atom Count:28
Complexity:506
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(2-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Basic Attributes
Characteristics
Safety Information
Computed Properties

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