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

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

CAS No:
587004-42-0
Formula:
C19H15ClF3N5OS
Chemical Name:
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Synonyms:
587004-42-0;ZINC2396701;STL342177;AKOS002190312;MCULE-3813599162;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide;ST50081589;2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide;2-{[4-allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-prop-2-enyl-5-(2-pyridyl)(1,2,4-tr iazol-3-ylthio))acetamide

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

Molecular Weight：

453.9 g/mol

Exact Mass：

453.0637935 g/mol

Characteristics

PSA：

98 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:453.9
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:453.0637935
Monoisotopic Mass:453.0637935
Topological Polar Surface Area:98
Heavy Atom Count:30
Complexity:599
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[4-chloro-3-(trifluoromethyl)phenyl]-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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