ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate
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ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate
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CAS No:
734537-96-3
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Formula:
C22H21N3O4S2
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Chemical Name:
ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate
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Synonyms:
ZINC3339290;AKOS034466282;MCULE-9855440070;Z56929325;734537-96-3;ethyl 4-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-2-{[(pyridin-3-yl)carbamothioyl]amino}thiophene-3-carboxylate
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CAS No:
ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate Basic Attributes
455.6 g/mol
455.09734851 g/mol
Computed Properties
Molecular Weight:455.6
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:455.09734851
Monoisotopic Mass:455.09734851
Topological Polar Surface Area:142
Heavy Atom Count:31
Complexity:640
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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