2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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![2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/844dc082fcf0494cbc617df8d76630bf.png "2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile")
2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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CAS No:
304867-97-8
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Formula:
C21H19N5O5
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Chemical Name:
2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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Synonyms:
2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile;2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile;Oprea1_870444;MLS000587523;CHEMBL1865186;KS-00003RFR;HMS2604J14;STK957275;AKOS003982316;MCULE-4103884742
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CAS No:
2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile Basic Attributes
421.40606
421.139
Computed Properties
Molecular Weight:421.4
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:421.13861872
Monoisotopic Mass:421.13861872
Topological Polar Surface Area:149
Heavy Atom Count:31
Complexity:869
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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