4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methylbenzoate
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![4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methylbenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b45ff64de0a6485fa782c72cd0fc27eb.png "4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methylbenzoate")
4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methylbenzoate
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CAS No:
669716-21-6
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Formula:
C20H15N3O5S
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Chemical Name:
4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methylbenzoate
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Synonyms:
4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-methylbenzoate;ZINC1862997;STK120910;AKOS003597042;MCULE-5005801720;4-((5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 4-methylbenzoate;669716-21-6
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CAS No:
4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methylbenzoate Basic Attributes
409.4 g/mol
409.07324176 g/mol
Computed Properties
Molecular Weight:409.4
XLogP3:4.1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:409.07324176
Monoisotopic Mass:409.07324176
Topological Polar Surface Area:136
Heavy Atom Count:29
Complexity:627
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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