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N-(2-bromo-4-methylphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-bromo-4-methylphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide structure

CAS No:
587013-88-5
Formula:
C18H17BrN4OS2
Chemical Name:
N-(2-bromo-4-methylphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Synonyms:
587013-88-5;ZINC2399333;STL342336;AKOS002188412;MCULE-1595739281;N-(2-bromo-4-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide;ST50081480;2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-bromo-4-methylphenyl)acetamide;2-{[4-allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromo-4-methylphenyl)acetamide;N-(2-bromo-4-methylphenyl)-2-(4-prop-2-enyl-5-(2-thienyl)(1,2,4-triazol-3-ylth io))acetamide

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N-(2-bromo-4-methylphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Basic Attributes

Molecular Weight：

449.4 g/mol

Exact Mass：

448.00272 g/mol

Characteristics

PSA：

113 Å²

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, 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:449.4
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:448.00272
Monoisotopic Mass:448.00272
Topological Polar Surface Area:113
Heavy Atom Count:26
Complexity:498
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(2-bromo-4-methylphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Basic Attributes
Characteristics
Safety Information
Computed Properties

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