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[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate

[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate structure

CAS No:
736957-15-6
Formula:
C20H21N3O5S2
Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
Synonyms:
SMR000242167;MLS000374750;MLS003914667;CHEMBL1497193;HMS2601D10;ZINC3248137;AKOS033671926;MCULE-1197992095;AB00545027-02;SR-01000042796;SR-01000042796-1;Z19295460;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 3-(methylsulfamoyl)benzoate;736957-15-6

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[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate Basic Attributes

Molecular Weight：

447.5 g/mol

Exact Mass：

447.09226313 g/mol

Characteristics

PSA：

162 Å²

Computed Properties

Molecular Weight:447.5
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:447.09226313
Monoisotopic Mass:447.09226313
Topological Polar Surface Area:162
Heavy Atom Count:30
Complexity:788
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate

Basic Attributes
Characteristics
Computed Properties
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