[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
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![[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dc7c37599f27457c968cfc643394198b.png "[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate")
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
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CAS No:
956049-08-4
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Formula:
C21H22N2O7S
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Chemical Name:
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
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Synonyms:
MLS002245354;CHEMBL3185586;HMS3071G03;ZINC2630121;AKOS034826841;MCULE-1124811481;SMR001309007;Z56972203;[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl (2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylate;956049-08-4
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CAS No:
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Basic Attributes
446.5 g/mol
446.11477222 g/mol
Computed Properties
Molecular Weight:446.5
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:446.11477222
Monoisotopic Mass:446.11477222
Topological Polar Surface Area:120
Heavy Atom Count:31
Complexity:760
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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