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ethyl N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate

ethyl N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate structure

CAS No:
63620-51-9
Formula:
C23H27NO6S
Chemical Name:
ethyl N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate
Synonyms:
63620-51-9;Carbamic acid, (5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-, ethyl ester, (S)-;NSC249278;NSC 249278;N-(Ethoxycarbonyl)deacetylthiocolchicine;BRN 3181473;CHEMBL19671;DTXSID30213000;ZINC5409784;NSC-249278;NCI60_001991;(S)-[5,7,9-TETRAHYDRO-1,2,3-TRIMETHOXY-10-(METHYLTHIO)-9-OXOBENZO[A]HEPTALEN-7-YL]CARBAMIC ACID, ETHYL ESTER;Carbamic acid,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, ethyl ester, (S)-

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ethyl N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate Basic Attributes

Molecular Weight：

445.5 g/mol

Exact Mass：

445.15590875 g/mol

NSC Number：

249278

DSSTox ID：

DTXSID30213000

Characteristics

PSA：

108 Å²

Computed Properties

Molecular Weight:445.5
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:445.15590875
Monoisotopic Mass:445.15590875
Topological Polar Surface Area:108
Heavy Atom Count:31
Complexity:776
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate

Basic Attributes
Characteristics
Computed Properties
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