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methyl 4-[[2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate

methyl 4-[[2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate structure

CAS No:
578003-94-8
Formula:
C19H19N5O3S
Chemical Name:
methyl 4-[[2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Synonyms:
578003-94-8;ZINC2369470;STL293911;AKOS002189506;MCULE-5822606154;ST50080936;Methyl 4-(2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate;methyl 4-[2-(4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate;methyl 4-[({[4-ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate;methyl 4-[({[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

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methyl 4-[[2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Basic Attributes

Molecular Weight：

397.5 g/mol

Exact Mass：

397.12086066 g/mol

Characteristics

PSA：

124 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:397.5
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:397.12086066
Monoisotopic Mass:397.12086066
Topological Polar Surface Area:124
Heavy Atom Count:28
Complexity:530
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl 4-[[2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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