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diethyl 3-methyl-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]thiophene-2,4-dicarboxylate

diethyl 3-methyl-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]thiophene-2,4-dicarboxylate structure

CAS No:
321971-40-8
Formula:
C21H22N2O5S2
Chemical Name:
diethyl 3-methyl-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]thiophene-2,4-dicarboxylate
Synonyms:
ZINC1879910;STL016059;AKOS000627955;ST50230661;SR-01000409213;SR-01000409213-1;3-Methyl-5-[3-(3-phenyl-acryloyl)-thioureido]-thiophene-2,4-dicarboxylic acid di;321971-40-8;diethyl 3-methyl-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)thiophene-2,4-dicarboxylate;ethyl 2-{[((2E)-3-phenylprop-2-enoylamino)thioxomethyl]amino}-5-(ethoxycarbony l)-4-methylthiophene-3-carboxylate

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diethyl 3-methyl-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]thiophene-2,4-dicarboxylate Basic Attributes

Molecular Weight：

446.5 g/mol

Exact Mass：

446.09701415 g/mol

Characteristics

PSA：

154 Å²

Computed Properties

Molecular Weight:446.5
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:446.09701415
Monoisotopic Mass:446.09701415
Topological Polar Surface Area:154
Heavy Atom Count:30
Complexity:664
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of diethyl 3-methyl-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]thiophene-2,4-dicarboxylate

Basic Attributes
Characteristics
Computed Properties
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