6-[2-[2-(4-methyl-3-nitrophenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
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![6-[2-[2-(4-methyl-3-nitrophenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/47de7e83c2e64243a8cf43e71f84a9a2.png "6-[2-[2-(4-methyl-3-nitrophenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid")
6-[2-[2-(4-methyl-3-nitrophenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
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CAS No:
147332-48-7
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Formula:
C25H30N2O7
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Chemical Name:
6-[2-[2-(4-methyl-3-nitrophenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
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Synonyms:
ICI-D 1542; ZD 1542;
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CAS No:
6-[2-[2-(4-methyl-3-nitrophenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid Basic Attributes
470.51500
470.20530130
Drug Information
6-(2-(1-methyl-1-(2-nitro-4-tolyloxy)ethyl)-4-(3-pyridyl)-1,3-dioxan-5-yl)hex-4-enoic acid
Computed Properties
Molecular Weight:470.5
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:470.20530130
Monoisotopic Mass:470.20530130
Topological Polar Surface Area:124
Heavy Atom Count:34
Complexity:708
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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