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N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide

N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide structure

CAS No:
879458-40-9
Formula:
C23H26N4O3S
Chemical Name:
N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
Synonyms:
5-(4,5-dimethyl-6-oxo-1-cyclohexa-2,4-dienylidene)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-dihydropyrazole-3-carboxamide;SMR000221630;5-(2-Hydroxy-3,4-dimethyl-phenyl)-2H-pyrazole-3-carboxylic acid (3-ethylcarbamoyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-amide;MLS000332153;MLS002584969;CHEMBL1359773;CHEBI:107617;HMS2751P23;STK591840;ZINC13125509;AKOS002265462;AKOS005513768;MCULE-6629513342;Q27185942;879458-40-9;N-[3-(Ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide;N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide

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Description

5-(4,5-dimethyl-6-oxo-1-cyclohexa-2,4-dienylidene)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-dihydropyrazole-3-carboxamide is an organonitrogen compound and an organooxygen compound. It derives from an alpha-amino acid.

N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide Basic Attributes

Molecular Weight：

438.5 g/mol

Exact Mass：

438.17256188 g/mol

Characteristics

PSA：

135 Å²

Computed Properties

Molecular Weight:438.5
XLogP3:4.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:438.17256188
Monoisotopic Mass:438.17256188
Topological Polar Surface Area:135
Heavy Atom Count:31
Complexity:665
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide

Description
Basic Attributes
Characteristics
Computed Properties

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