ethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Base Information

• Chemical Name: ethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• CAS No.: 514799-11-2
• Molecular Formula: C17H21N3O3S
• Molecular Weight: 347.4
• DSSTox Substance ID: DTXSID301110732
• Mol file: 514799-11-2.mol

Synonyms:ethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;Oprea1_027101;DTXSID301110732;STK958989;AKOS003757381;CCG-287677;ethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;AK-968/14004596;514799-11-2;Ethyl 2-[[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Chemical Property of ethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 347.13036271
• Heavy Atom Count: 24
• Complexity: 490

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3C)C