[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
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![[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2dcbbac173324cd09a3a2e1ae03f621c.png "[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate")
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
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CAS No:
956198-99-5
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Formula:
C21H23ClN2O6S
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Chemical Name:
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
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Synonyms:
ZINC3314370;AKOS034826794;MCULE-1129680281;Z56966711;2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl (2S)-1-(4-chlorobenzenesulfonyl)pyrrolidine-2-carboxylate;956198-99-5
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CAS No:
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Basic Attributes
466.9 g/mol
466.0965353 g/mol
Computed Properties
Molecular Weight:466.9
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:466.0965353
Monoisotopic Mass:466.0965353
Topological Polar Surface Area:122
Heavy Atom Count:31
Complexity:805
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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