[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
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![[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1f17f74559d54f7581d372d6559668a8.png "[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate")
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
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CAS No:
957014-37-8
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Formula:
C20H19ClN2O7S
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Chemical Name:
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
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Synonyms:
ZINC2664281;AKOS034827189;MCULE-8476759000;Z56997820;[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl (2S)-1-(4-chlorobenzenesulfonyl)pyrrolidine-2-carboxylate;957014-37-8
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CAS No:
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Basic Attributes
466.9 g/mol
466.0601498 g/mol
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:466.9
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:466.0601498
Monoisotopic Mass:466.0601498
Topological Polar Surface Area:120
Heavy Atom Count:31
Complexity:766
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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