AC1LJJ8U
methyl 2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: Oprea1_107383|AK-968/41926573|methyl 2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate|methyl 2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate|methyl 2-(2-oxo-2H-chromene-3-carboxamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate|methyl 2-[(2-oxochromen-3-yl)carbonylamino]-4,5,6,7,8,9-hexahydrocycloocta[1,2 -b]thiophene-3-carboxylate
| Molecular Formula | C22H21NO5S |
|---|---|
| Molecular Weight | 411.11404 g/mol |
| LogP | 4.5524 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.11404 |
| Monoisotopic Mass | 411.11404 |
| Heavy Atoms | 29 |
| Complexity | 1143.8004 |
Chemical Identifiers
| CAS Number | 545339-69-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=CC4=CC=CC=C4OC3=O |
Product Overview
AC1LJJ8U (CAS 545339-69-3), with molecular formula C22H21NO5S and molecular weight 411.11404 g/mol. IUPAC: methyl 2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
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