N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]adamantane-1-carboxamide
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![N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]adamantane-1-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2726a62d4abc430196d872351c1ccd91.png "N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]adamantane-1-carboxamide")
N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]adamantane-1-carboxamide
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CAS No:
60864-99-5
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Formula:
C31H37NO5S
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Chemical Name:
N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]adamantane-1-carboxamide
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Synonyms:
Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-;60864-99-5;N-Desacetyl-N-adamantoyl-thiocolchicine;N-Desacetyl-N-adamantoyl-thiocolchicine [French];N-Desacetyl-N-adamantoylthiocolchicine;DTXSID00209713;N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]adamantane-1-carboxamide
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CAS No:
N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]adamantane-1-carboxamide Basic Attributes
535.7 g/mol
535.23924445 g/mol
DTXSID00209713
Computed Properties
Molecular Weight:535.7
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:535.23924445
Monoisotopic Mass:535.23924445
Topological Polar Surface Area:99.2
Heavy Atom Count:38
Complexity:1020
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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