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

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

CAS No:
586994-47-0
Formula:
C19H17N5O3S
Chemical Name:
N-(1,3-benzodioxol-5-yl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Synonyms:
586994-47-0;ZINC2396544;STL293926;AKOS002188693;MCULE-3394454249;ST50081584;2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide;2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE;N-(1,3-benzodioxol-5-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide;N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-(4-prop-2-enyl-5-(2-pyridyl)(1,2,4-tria zol-3-ylthio))acetamide

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

Molecular Weight：

395.4 g/mol

Exact Mass：

395.10521059 g/mol

Characteristics

PSA：

117 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:395.4
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:395.10521059
Monoisotopic Mass:395.10521059
Topological Polar Surface Area:117
Heavy Atom Count:28
Complexity:554
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(1,3-benzodioxol-5-yl)-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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