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

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

CAS No:
587005-33-2
Formula:
C21H23N5OS
Chemical Name:
N-(2-ethyl-6-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Synonyms:
587005-33-2;ZINC2395714;STL293931;AKOS002190280;MCULE-4721104074;N-(2-ethyl-6-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide;ST50081620;2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide;2-{[4-allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide;N-(6-ethyl-2-methylphenyl)-2-(4-prop-2-enyl-5-(2-pyridyl)(1,2,4-triazol-3-ylth io))acetamide

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

Molecular Weight：

393.5 g/mol

Exact Mass：

393.16233155 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:393.5
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:393.16233155
Monoisotopic Mass:393.16233155
Topological Polar Surface Area:98
Heavy Atom Count:28
Complexity:519
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(2-ethyl-6-methylphenyl)-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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