AC1NW3P6 structure

AC1NW3P6

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

Also Known As: 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|N-[3-(Ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide|(5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-dihydropyrazole-3-carboxamide|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|5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-dihydropyrazole-3-carboxamide|N-(3-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-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

CAS: 879458-40-9
Molecular Formula C23H26N4O3S
Molecular Weight 438.17258 g/mol
LogP 4.34144
Topological Polar Surface Area 107.11 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 438.17258
Monoisotopic Mass 438.17258
Heavy Atoms 31
Complexity 1162.026

Chemical Identifiers

CAS Number 879458-40-9
SMILES CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3)C4=C(C(=C(C=C4)C)C)O

Product Overview

AC1NW3P6 (CAS 879458-40-9), with molecular formula C23H26N4O3S and molecular weight 438.17258 g/mol. IUPAC: N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide.

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