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ethyl 2-{[(benzylamino)carbothioyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate

ethyl 2-{[(benzylamino)carbothioyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate structure

CAS No:
330819-58-4
Formula:
C20H24N2O3S2
Chemical Name:
ethyl 2-{[(benzylamino)carbothioyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Synonyms:
ZINC903749;STK830011;AKOS001632015;MCULE-8533283845;AB00093396-01;AJ-292/40211415;SR-01000454673;SR-01000454673-1;2-(3-Benzyl-thioureido)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxy;ethyl 2-[(benzylcarbamothioyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate

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ethyl 2-{[(benzylamino)carbothioyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate Basic Attributes

Molecular Weight：

404.54616

Exact Mass：

404.123

Characteristics

PSA：

120

XLogP3：

4.1

Melting Point：

148 - 149 °C

Computed Properties

Molecular Weight:404.6
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:404.12283498
Monoisotopic Mass:404.12283498
Topological Polar Surface Area:120
Heavy Atom Count:27
Complexity:537
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-{[(benzylamino)carbothioyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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