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

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

CAS No:
587012-11-1
Formula:
C18H17ClN4O2S2
Chemical Name:
N-(3-chloro-4-methoxyphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Synonyms:
587012-11-1;ZINC2396905;STL277018;AKOS002188518;MCULE-5534236673;N-(3-chloro-4-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide;ST50081461;2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-4-methoxyphenyl)acetamide;2-{[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(3-CHLORO-4-METHOXYPHENYL)ACETAMIDE;N-(3-chloro-4-methoxyphenyl)-2-(4-prop-2-enyl-5-(2-thienyl)(1,2,4-triazol-3-yl thio))acetamide

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

Molecular Weight：

420.9 g/mol

Exact Mass：

420.0481458 g/mol

Characteristics

PSA：

123 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:420.9
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:420.0481458
Monoisotopic Mass:420.0481458
Topological Polar Surface Area:123
Heavy Atom Count:27
Complexity:516
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(3-chloro-4-methoxyphenyl)-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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