2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid
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![2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/05c4551f63ae4c2e92e251a3f4fdeab6.png "2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid")
2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid
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CAS No:
782457-06-1
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Formula:
C21H17N3O7S
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Chemical Name:
2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid
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Synonyms:
MLS001002742;SCHEMBL5466001;CHEMBL1505627;HMS2745H17;ZINC2626650;AKOS033585502;MCULE-4767304926;SMR000370709;Z17728772;2-[[[6-nitro-4H-1,3-benzodioxin-8-yl)methyl]thio]-3-(2-propenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid;2-{[(6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxylic acid;782457-06-1
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CAS No:
2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid Basic Attributes
455.4 g/mol
455.07872106 g/mol
Computed Properties
Molecular Weight:455.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:455.07872106
Monoisotopic Mass:455.07872106
Topological Polar Surface Area:160
Heavy Atom Count:32
Complexity:801
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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