AC1LK39F
ethyl 2-[(3,4-dimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: Oprea1_673623|Oprea1_855138|NCGC00099006-01|AK-968/13030029|SR-01000463408-1|ethyl 2-[(3,4-dimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|F0817-0375|A2605/0110716|ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE|ethyl 2-(3,4-dimethoxybenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-{[(3,4-dimethoxyphenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C21H25NO5S |
|---|---|
| Molecular Weight | 403.14536 g/mol |
| LogP | 4.4632 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.14536 |
| Monoisotopic Mass | 403.14536 |
| Heavy Atoms | 28 |
| Complexity | 873.92114 |
Chemical Identifiers
| CAS Number | 397290-67-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=C(C=C3)OC)OC |
Product Overview
AC1LK39F (CAS 397290-67-4), with molecular formula C21H25NO5S and molecular weight 403.14536 g/mol. IUPAC: ethyl 2-[(3,4-dimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
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