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Benzoic acid, 4-[[2-[(4-chloro-3-nitrobenzoyl)amino]-3-methyl-1-oxopentyl]amino]-, ethyl ester (9CI)

Benzoic acid, 4-[[2-[(4-chloro-3-nitrobenzoyl)amino]-3-methyl-1-oxopentyl]amino]-, ethyl ester (9CI) structure

CAS No:
334830-43-2
Formula:
C22H24ClN3O6
Chemical Name:
Benzoic acid, 4-[[2-[(4-chloro-3-nitrobenzoyl)amino]-3-methyl-1-oxopentyl]amino]-, ethyl ester (9CI)
Synonyms:
Ethyl 4-{[N-(4-chloro-3-nitrobenzoyl)isoleucyl]amino}benzoate;ZINC38806966

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Benzoic acid, 4-[[2-[(4-chloro-3-nitrobenzoyl)amino]-3-methyl-1-oxopentyl]amino]-, ethyl ester (9CI) Basic Attributes

Molecular Weight：

461.89546

Exact Mass：

461.135363

Characteristics

PSA：

130

Computed Properties

Molecular Weight:461.9
XLogP3:4.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:461.1353632
Monoisotopic Mass:461.1353632
Topological Polar Surface Area:130
Heavy Atom Count:32
Complexity:677
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoic acid, 4-[[2-[(4-chloro-3-nitrobenzoyl)amino]-3-methyl-1-oxopentyl]amino]-, ethyl ester (9CI)

Basic Attributes
Characteristics
Computed Properties
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