3-(1-[(4-BROMOPHENYL)SULFONYL]-2-PYRROLIDINYL)-5-([4-(TERT-BUTYL)BENZYL]SULFANYL)-4-METHYL-4H-1,2,4-TRIAZOLE
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![3-(1-[(4-BROMOPHENYL)SULFONYL]-2-PYRROLIDINYL)-5-([4-(TERT-BUTYL)BENZYL]SULFANYL)-4-METHYL-4H-1,2,4-TRIAZOLE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6da8e09245a4479abe2b557d5c023e53.png "3-(1-[(4-BROMOPHENYL)SULFONYL]-2-PYRROLIDINYL)-5-([4-(TERT-BUTYL)BENZYL]SULFANYL)-4-METHYL-4H-1,2,4-TRIAZOLE")
3-(1-[(4-BROMOPHENYL)SULFONYL]-2-PYRROLIDINYL)-5-([4-(TERT-BUTYL)BENZYL]SULFANYL)-4-METHYL-4H-1,2,4-TRIAZOLE
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CAS No:
344268-12-8
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Formula:
C24H29BrN4O2S2
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Chemical Name:
3-(1-[(4-BROMOPHENYL)SULFONYL]-2-PYRROLIDINYL)-5-([4-(TERT-BUTYL)BENZYL]SULFANYL)-4-METHYL-4H-1,2,4-TRIAZOLE
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Synonyms:
3-[1-(4-bromobenzenesulfonyl)pyrrolidin-2-yl]-5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole;3-{1-[(4-bromophenyl)sulfonyl]-2-pyrrolidinyl}-5-{[4-(tert-butyl)benzyl]sulfanyl}-4-methyl-4H-1,2,4-triazole;Oprea1_847837;KS-00003CNK;AKOS005098037;7H-406S;MCULE-7562197103
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CAS No:
3-(1-[(4-BROMOPHENYL)SULFONYL]-2-PYRROLIDINYL)-5-([4-(TERT-BUTYL)BENZYL]SULFANYL)-4-METHYL-4H-1,2,4-TRIAZOLE Basic Attributes
549.55
548.092
Computed Properties
Molecular Weight:549.6
XLogP3:5.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:548.09153
Monoisotopic Mass:548.09153
Topological Polar Surface Area:102
Heavy Atom Count:33
Complexity:741
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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