1-[2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylic acid
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![1-[2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6f71a8c38b934750b5573f0324f0530d.png "1-[2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylic acid")
1-[2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylic acid
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CAS No:
731793-17-2
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Formula:
C22H22ClN5O3S
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Chemical Name:
1-[2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylic acid
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Synonyms:
MLS001002364;CHEMBL1441450;HMS2674G12;ZINC3277406;AKOS033659890;MCULE-7187703203;SMR000368882;Z19110649;1-(2-{[4-(3-chloro-2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid;731793-17-2
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CAS No:
1-[2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylic acid Basic Attributes
472.0 g/mol
471.1131884 g/mol
Computed Properties
Molecular Weight:472.0
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:471.1131884
Monoisotopic Mass:471.1131884
Topological Polar Surface Area:127
Heavy Atom Count:32
Complexity:660
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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