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3-methyl-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

3-methyl-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide structure

CAS No:
591764-17-9
Formula:
C21H22N6O4S
Chemical Name:
3-methyl-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Synonyms:
3-methyl-N-{[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide;ZINC1865669;STK004436;AKOS003204301;MCULE-7346221308;591764-17-9

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3-methyl-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Basic Attributes

Molecular Weight：

454.5 g/mol

Exact Mass：

454.14232438 g/mol

Characteristics

PSA：

160 Å²

Computed Properties

Molecular Weight:454.5
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:454.14232438
Monoisotopic Mass:454.14232438
Topological Polar Surface Area:160
Heavy Atom Count:32
Complexity:677
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-methyl-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

Basic Attributes
Characteristics
Computed Properties

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