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N-(2-chloro-4,6-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide structure

CAS No:
618880-35-6
Formula:
C20H20ClN5OS
Chemical Name:
N-(2-chloro-4,6-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Synonyms:
618880-35-6;ZINC2265144;STL338972;AKOS002190126;MCULE-7545263736;N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide;ST50081633;2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-4,6-dimethylphenyl)acetamide;2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(2-CHLORO-4,6-DIMETHYLPHENYL)ACETAMIDE;N-(2-chloro-4,6-dimethylphenyl)-2-(4-prop-2-enyl-5-(2-pyridyl)(1,2,4-triazol-3 -ylthio))acetamide

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N-(2-chloro-4,6-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Basic Attributes

Molecular Weight：

413.9 g/mol

Exact Mass：

413.1077091 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:413.9
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:413.1077091
Monoisotopic Mass:413.1077091
Topological Polar Surface Area:98
Heavy Atom Count:28
Complexity:539
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(2-chloro-4,6-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Basic Attributes
Characteristics
Safety Information
Computed Properties

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