methyl (4S)-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
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methyl (4S)-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
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CAS No:
120056-57-7
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Formula:
C20H22N2O4S
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Chemical Name:
methyl (4S)-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
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Synonyms:
methyl 4,7-dihydro-3-isobutyl-6-methyl-4-(nitrophenyl)thieno(2,3-b)-pyridine-5-carboxylate;S 312;S-312;S-312-d;S-312-d;120056-57-7;methyl (S)-3-isobutyl-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate;S-312d;SCHEMBL8976995;ZINC596933;methyl (4S)-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate;Thieno(2,3-b)pyridine-5-carboxylic acid, 4,7-dihydro-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-, methyl ester, (S)-
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CAS No:
methyl (4S)-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Basic Attributes
386.5 g/mol
386.13002836 g/mol
Drug Information
methyl 4,7-dihydro-3-isobutyl-6-methyl-4-(nitrophenyl)thieno(2,3-b)-pyridine-5-carboxylate
Computed Properties
Molecular Weight:386.5
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:386.13002836
Monoisotopic Mass:386.13002836
Topological Polar Surface Area:112
Heavy Atom Count:27
Complexity:616
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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