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ethyl 2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate

ethyl 2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate structure

CAS No:
689749-94-8
Formula:
C20H19N5O5S
Chemical Name:
ethyl 2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Synonyms:
689749-94-8;ethyl 2-((5-((4-nitrobenzamido)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate;ethyl 2-[(5-{[(4-nitrophenyl)formamido]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate;Ethyl 2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate;ZINC2724054;AKOS024586387;MCULE-5697872351;AB00684572-01;F0601-0071

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ethyl 2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Basic Attributes

Molecular Weight：

441.5 g/mol

Exact Mass：

441.11068990 g/mol

Characteristics

PSA：

157 Å²

Computed Properties

Molecular Weight:441.5
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:441.11068990
Monoisotopic Mass:441.11068990
Topological Polar Surface Area:157
Heavy Atom Count:31
Complexity:620
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate

Basic Attributes
Characteristics
Computed Properties
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