AC1NB3A2
ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: Oprea1_756528|SR-01000009351-1|F0817-0390|ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C22H22N2O5S |
|---|---|
| Molecular Weight | 426.12494 g/mol |
| LogP | 3.4284 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.12494 |
| Monoisotopic Mass | 426.12494 |
| Heavy Atoms | 30 |
| Complexity | 1007.14404 |
Chemical Identifiers
| CAS Number | 397290-72-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
AC1NB3A2 (CAS 397290-72-1), with molecular formula C22H22N2O5S and molecular weight 426.12494 g/mol. IUPAC: ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
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