5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
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![5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/baa364393c9f48d29cc4204e1c18db63.png "5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine")
5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
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CAS No:
771497-48-4
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Formula:
C20H20N4O4S2
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Chemical Name:
5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
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Synonyms:
ZINC3370574;AKOS033660265;MCULE-1202390689;AB00981698-01;Z19113381;5-{[(6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-N-[4-(propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine;771497-48-4
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CAS No:
5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine Basic Attributes
444.5 g/mol
444.09259748 g/mol
Computed Properties
Molecular Weight:444.5
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:444.09259748
Monoisotopic Mass:444.09259748
Topological Polar Surface Area:156
Heavy Atom Count:30
Complexity:574
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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