3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 4-methylbenzenesulfonate
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![3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 4-methylbenzenesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ccfc6c32bb254e73b73dc865b837143d.png "3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 4-methylbenzenesulfonate")
3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 4-methylbenzenesulfonate
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CAS No:
423165-08-6
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Formula:
C20H30N4O3S
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Chemical Name:
3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 4-methylbenzenesulfonate
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Synonyms:
4-methylbenzenesulfonic acid,3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane;
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CAS No:
3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 4-methylbenzenesulfonate Basic Attributes
406.54200
406.20386201
DTXSID40436980
2933990090
Computed Properties
Molecular Weight:406.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:406.20386201
Monoisotopic Mass:406.20386201
Topological Polar Surface Area:106
Heavy Atom Count:28
Complexity:475
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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