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1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole structure

CAS No:
735338-24-6
Formula:
C17H12N4O4S2
Chemical Name:
1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Synonyms:
ZINC03321348;ZINC3321348;AKOS033737686;MCULE-4068526425;Z20237836;3-{[(6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaene;735338-24-6

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1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole Basic Attributes

Molecular Weight：

400.4 g/mol

Exact Mass：

400.02999722 g/mol

Characteristics

PSA：

148 Å²

Computed Properties

Molecular Weight:400.4
XLogP3:4.4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:400.02999722
Monoisotopic Mass:400.02999722
Topological Polar Surface Area:148
Heavy Atom Count:27
Complexity:568
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

Basic Attributes
Characteristics
Computed Properties

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