AC1MG5PW
ethyl 2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-({[4-(pyridin-2-yl)piperazin-1-yl]carbonothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-(4-(pyridin-2-yl)piperazine-1-carbothioamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}-4,5,6,7,8-pentahydrocy clohepta[2,1-b]thiophene-3-carboxylate
| Molecular Formula | C22H28N4O2S2 |
|---|---|
| Molecular Weight | 444.16537 g/mol |
| LogP | 4.1077 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.16537 |
| Monoisotopic Mass | 444.16537 |
| Heavy Atoms | 30 |
| Complexity | 892.04254 |
Chemical Identifiers
| CAS Number | 701973-24-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCN(CC3)C4=CC=CC=N4 |
Product Overview
AC1MG5PW (CAS 701973-24-2), with molecular formula C22H28N4O2S2 and molecular weight 444.16537 g/mol. IUPAC: ethyl 2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
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