3-O-ethyl 5-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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3-O-ethyl 5-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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CAS No:
118587-22-7
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Formula:
C21H25N3O7S
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Chemical Name:
3-O-ethyl 5-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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Synonyms:
BBR 2160;BBR-2160;Bbr 2160;Bbr-2160;118587-22-7;3,5-Pyridinedicarboxylic acid, 2-(((2-(formylamino)ethyl)thio)methyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-ethyl 5-methyl ester;ACMC-20cb8d;SCHEMBL7265524;DTXSID90922722;3,5-Pyridinedicarboxylicacid,2-[[[2-(formylamino)ethyl]thio]methyl]-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-,3-ethyl 5-methyl ester;3-O-ethyl 5-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;Q27279045;[2-({[3-(Ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl}sulfanyl)ethyl]methanimidic acid
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CAS No:
3-O-ethyl 5-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Basic Attributes
463.5 g/mol
463.14132132 g/mol
Computed Properties
Molecular Weight:463.5
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:463.14132132
Monoisotopic Mass:463.14132132
Topological Polar Surface Area:165
Heavy Atom Count:32
Complexity:791
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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