4-[[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
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![4-[[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0e456e66365f468eba1d54258db5f6d9.png "4-[[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide")
4-[[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
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CAS No:
618880-17-4
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Formula:
C19H18N6O2S
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Chemical Name:
4-[[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
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Synonyms:
618880-17-4;ZINC2403556;STL339581;AKOS002188749;MCULE-2526239942;ST50081588;4-(2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide;4-[({[4-allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide;4-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide;4-[({[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide
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CAS No:
4-[[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Basic Attributes
394.5 g/mol
394.12119501 g/mol
Safety Information
|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:394.5
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:394.12119501
Monoisotopic Mass:394.12119501
Topological Polar Surface Area:141
Heavy Atom Count:28
Complexity:555
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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