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[2-(2-methylpropylamino)-2-oxoethyl] 4-chloro-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate

[2-(2-methylpropylamino)-2-oxoethyl] 4-chloro-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate structure

CAS No:
796064-43-2
Formula:
C18H22ClN5O4S
Chemical Name:
[2-(2-methylpropylamino)-2-oxoethyl] 4-chloro-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Synonyms:
ZINC3337786;AKOS033417979;MCULE-5324324493;Z15464942;[(2-methylpropyl)carbamoyl]methyl 4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate;796064-43-2

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[2-(2-methylpropylamino)-2-oxoethyl] 4-chloro-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Basic Attributes

Molecular Weight：

439.9 g/mol

Exact Mass：

439.1081031 g/mol

Characteristics

PSA：

141 Å²

Computed Properties

Molecular Weight:439.9
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:439.1081031
Monoisotopic Mass:439.1081031
Topological Polar Surface Area:141
Heavy Atom Count:29
Complexity:583
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-(2-methylpropylamino)-2-oxoethyl] 4-chloro-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate

Basic Attributes
Characteristics
Computed Properties
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