ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(3-thienyl)-4H-pyran-3-carboxylate
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ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(3-thienyl)-4H-pyran-3-carboxylate
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CAS No:
445384-12-3
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Formula:
C25H24N4O3S2
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Chemical Name:
ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(3-thienyl)-4H-pyran-3-carboxylate
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Synonyms:
ethyl 6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(thiophen-3-yl)-4H-pyran-3-carboxylate;ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(3-thienyl)-4H-pyran-3-carboxylate;AM-807/14957065;KS-00003RZ6;RSC005448;STK547226;AKOS003598274;MCULE-1917517543;SS-0547;ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(thiophen-3-yl)-4H-pyran-3-carboxylate
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CAS No:
ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(3-thienyl)-4H-pyran-3-carboxylate Basic Attributes
492.61306
492.129
Computed Properties
Molecular Weight:492.6
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:492.12898299
Monoisotopic Mass:492.12898299
Topological Polar Surface Area:176
Heavy Atom Count:34
Complexity:946
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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