4-[3-(1-adamantyl)-1-phenyl-1H-pyrazol-4-yl]-2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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![4-[3-(1-adamantyl)-1-phenyl-1H-pyrazol-4-yl]-2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/07496475de2e448a98b848ba325536a0.png "4-[3-(1-adamantyl)-1-phenyl-1H-pyrazol-4-yl]-2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile")
4-[3-(1-adamantyl)-1-phenyl-1H-pyrazol-4-yl]-2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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CAS No:
312309-56-1
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Formula:
C31H34N4O2
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Chemical Name:
4-[3-(1-adamantyl)-1-phenyl-1H-pyrazol-4-yl]-2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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Synonyms:
2-amino-7,7-dimethyl-5-oxo-4-[1-phenyl-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile;4-[3-(1-adamantyl)-1-phenyl-1H-pyrazol-4-yl]-2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile;AM-807/12426167;STK099036;AKOS005396566;MCULE-1816293634;312309-56-1
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CAS No:
4-[3-(1-adamantyl)-1-phenyl-1H-pyrazol-4-yl]-2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile Basic Attributes
494.62726
494.268
Computed Properties
Molecular Weight:494.6
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:494.26817634
Monoisotopic Mass:494.26817634
Topological Polar Surface Area:93.9
Heavy Atom Count:37
Complexity:1060
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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