3-[4-amino-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid
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![3-[4-amino-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/79ad7b02684a4f1db973601d239d40ae.png "3-[4-amino-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid")
3-[4-amino-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid
structure -
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CAS No:
381702-91-6
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Formula:
C16H17N5O6S
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Chemical Name:
3-[4-amino-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid
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Synonyms:
381702-91-6;MLS001075338;SMR000646424;3-[4-amino-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid;3-(4-amino-3-((2-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid;3-(4-amino-3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid;3-[4-amino-3-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propanoic acid;CHEMBL1725549;BDBM80606;cid_1924109;HMS2934I17;ZINC2305869;STK533064;AKOS002238324;MCULE-7114815341;ST50113297;AB00853245-06;F2712-0142;3-[4-amino-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]thio]-5-keto-1,2,4-triazin-6-yl]propionic acid;3-[4-amino-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]thio]-5-oxo-1,2,4-triazin-6-yl]propanoic acid;3-[4-azanyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-1,2,4-triazin-6-yl]propanoic acid;3-{4-amino-3-[(N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)carbamoyl)methylthio]-5-ox o-1,2,4-triazin-6-yl}propanoic acid
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CAS No:
3-[4-amino-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid Basic Attributes
407.4 g/mol
407.08995445 g/mol
Computed Properties
Molecular Weight:407.4
XLogP3:-2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:407.08995445
Monoisotopic Mass:407.08995445
Topological Polar Surface Area:181
Heavy Atom Count:28
Complexity:699
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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