3-[(3-benzyl-4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid
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![3-[(3-benzyl-4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d20762f1c1c34351b1eb240eefae4d4c.png "3-[(3-benzyl-4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid")
3-[(3-benzyl-4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid
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CAS No:
4829-90-7
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Formula:
C15H14N4O4S
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Chemical Name:
3-[(3-benzyl-4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid
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Synonyms:
4829-90-7;NSC92674;3-[(1-benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1h-imidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid;DTXSID10293845;ZINC1598432;NSC-92674;3-((1-Benzyl-4,7-dioxo-4,5,6,7-tetrahydro-1H-imidazo[4,5-d]pyridazin-2-yl)thio)propanoic acid
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CAS No:
3-[(3-benzyl-4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl)sulfanyl]propanoic acid Basic Attributes
346.4 g/mol
346.07357611 g/mol
92674
DTXSID10293845
Computed Properties
Molecular Weight:346.4
XLogP3:1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:346.07357611
Monoisotopic Mass:346.07357611
Topological Polar Surface Area:139
Heavy Atom Count:24
Complexity:512
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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