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[2-(3-nitroanilino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

[2-(3-nitroanilino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate structure

CAS No:
957047-57-3
Formula:
C20H21N3O7S
Chemical Name:
[2-(3-nitroanilino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
Synonyms:
ZINC2635056;AKOS034826874;MCULE-7104904769;Z56974572;[(3-nitrophenyl)carbamoyl]methyl (2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylate;957047-57-3

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[2-(3-nitroanilino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Basic Attributes

Molecular Weight：

447.5 g/mol

Exact Mass：

447.11002119 g/mol

Characteristics

PSA：

147 Å²

Computed Properties

Molecular Weight:447.5
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:447.11002119
Monoisotopic Mass:447.11002119
Topological Polar Surface Area:147
Heavy Atom Count:31
Complexity:769
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-(3-nitroanilino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Basic Attributes
Characteristics
Computed Properties
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