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[2-(4-cyanoanilino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate

[2-(4-cyanoanilino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate structure

CAS No:
389609-13-6
Formula:
C23H14N2O6S
Chemical Name:
[2-(4-cyanoanilino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate
Synonyms:
Oprea1_756887;ZINC3275704;AKOS033710511;MCULE-9932272705;AB00715900-01;SR-01000040019;SR-01000040019-1;Z19802797;[(4-cyanophenyl)carbamoyl]methyl 9,10,10-trioxo-9H-10lambda6-thioxanthene-3-carboxylate;389609-13-6

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[2-(4-cyanoanilino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate Basic Attributes

Molecular Weight：

446.4 g/mol

Exact Mass：

446.05725734 g/mol

Characteristics

PSA：

139 Å²

Computed Properties

Molecular Weight:446.4
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:446.05725734
Monoisotopic Mass:446.05725734
Topological Polar Surface Area:139
Heavy Atom Count:32
Complexity:909
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Hot Searches: h2s formula; phenylmagnesium bromide; dipotassium; barium sulfate formula; enterobacter cloacae; tetrafluoroethylene

Guide of [2-(4-cyanoanilino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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