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methyl 4-[[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate

methyl 4-[[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate structure

CAS No:
573973-78-1
Formula:
C19H18N4O3S2
Chemical Name:
methyl 4-[[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Synonyms:
573973-78-1;ZINC2368448;STL294146;AKOS002188158;MCULE-3754298274;ST50081463;ME 4-((((4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETYL)AMINO)BENZOATE;Methyl 4-(2-((4-allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate;methyl 4-[2-(4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazol-3-ylthio)acetylamino]be nzoate;methyl 4-[({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

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

Molecular Weight：

414.5 g/mol

Exact Mass：

414.08203280 g/mol

Characteristics

PSA：

140 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:414.5
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:414.08203280
Monoisotopic Mass:414.08203280
Topological Polar Surface Area:140
Heavy Atom Count:28
Complexity:557
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl 4-[[2-[(4-prop-2-enyl-5-thiophen-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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