AC1LIGU0
ethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_027101|AK-968/14004596|ethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|Ethyl 2-[[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|Ethyl 2-(((1,3-dimethyl-1H-pyrazol-5-yl)carbonyl)amino)-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylate
| Molecular Formula | C17H21N3O3S |
|---|---|
| Molecular Weight | 347.13037 g/mol |
| LogP | 3.09782 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.13037 |
| Monoisotopic Mass | 347.13037 |
| Heavy Atoms | 24 |
| Complexity | 791.34625 |
Chemical Identifiers
| CAS Number | 514799-11-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3C)C |
Product Overview
AC1LIGU0 (CAS 514799-11-2), with molecular formula C17H21N3O3S and molecular weight 347.13037 g/mol. IUPAC: ethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.