3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1S,2S)-2-(diMethylaMino)cyclohexyl]aMino]-Cyclobutene-1,2-dione
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![3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1S,2S)-2-(diMethylaMino)cyclohexyl]aMino]-Cyclobutene-1,2-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/228271a11c4343f4af52e9b73ea1df3f.png "3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1S,2S)-2-(diMethylaMino)cyclohexyl]aMino]-Cyclobutene-1,2-dione")
3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1S,2S)-2-(diMethylaMino)cyclohexyl]aMino]-Cyclobutene-1,2-dione
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CAS No:
1263205-96-4
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Formula:
C20H21F6N3O2
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Chemical Name:
3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1S,2S)-2-(diMethylaMino)cyclohexyl]aMino]-Cyclobutene-1,2-dione
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Synonyms:
3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-3-cyclobutene-1,2-dione;3-Cyclobutene-1,2-dione, 3-[[3,5-bis(trifluoromethyl)phenyl]amino]-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-;CS-16194;CS-0093055;3-((3,5-Bis(trifluoromethyl)phenyl)amino)-4-(((1S,2S)-2-(dimethylamino)cyclohexyl)amino)cyclobut-3-ene-1,2-dione;3-[[2beta-(Dimethylamino)cyclohexane-1alpha-yl]amino]-4-[3,5-bis(trifluoromethyl)anilino]-3-cyclobutene-1,2-dione
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CAS No:
3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1S,2S)-2-(diMethylaMino)cyclohexyl]aMino]-Cyclobutene-1,2-dione Basic Attributes
449.3900592
449.154
Characteristics
61.4
4.7
1.40±0.1 g/cm3(Predicted)
225 °C (decomp)(Solv: methanol (67-56-1); dichloromethane (75-09-2))
434.5±55.0 °C(Predicted)
Computed Properties
Molecular Weight:449.4
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:449.15379589
Monoisotopic Mass:449.15379589
Topological Polar Surface Area:61.4
Heavy Atom Count:31
Complexity:724
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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