2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-7,7-dimethyl-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]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/073ee0c2a5cc4723aacfe02a0b604cc3.png "2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile")
2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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CAS No:
370871-72-0
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Formula:
C23H23N5O5
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Chemical Name:
2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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Synonyms:
MLS000587528;370871-72-0;SMR000211539;2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile;2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile;2-Amino-4-[4-methoxy-3-(4-nitro-pyrazol-1-ylmethyl)-phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile;Oprea1_126031;2-amino-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile;CHEMBL1501369;BDBM52450
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CAS No:
2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile Basic Attributes
449.45922
449.17
Computed Properties
Molecular Weight:449.5
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:449.16991885
Monoisotopic Mass:449.16991885
Topological Polar Surface Area:149
Heavy Atom Count:33
Complexity:943
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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