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

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

CAS No:
689749-99-3
Formula:
C21H21N5O5S
Chemical Name:
ethyl 2-[[4-(3-methylphenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Synonyms:
689749-99-3;ethyl 2-((5-((4-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate;ethyl 2-{[4-(3-methylphenyl)-5-{[(4-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate;Ethyl 2-[[4-(3-methylphenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate;ZINC2724055;AKOS024586388;MCULE-4204891781;F0601-0072

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

Molecular Weight：

455.5 g/mol

Exact Mass：

455.12633996 g/mol

Characteristics

PSA：

157 Å²

Computed Properties

Molecular Weight:455.5
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:455.12633996
Monoisotopic Mass:455.12633996
Topological Polar Surface Area:157
Heavy Atom Count:32
Complexity:655
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties
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