AC1NQ4F8
ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_044308|F0882-0203|ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-amido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-6-methyl-1-thia-4,5,6,7-tetrahydro-3-indenecarboxylate
| Molecular Formula | C21H23NO5S |
|---|---|
| Molecular Weight | 401.1297 g/mol |
| LogP | 4.0731 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.1297 |
| Monoisotopic Mass | 401.1297 |
| Heavy Atoms | 28 |
| Complexity | 919.76 |
Chemical Identifiers
| CAS Number | 477553-21-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC4=C(C=C3)OCCO4 |
Product Overview
AC1NQ4F8 (CAS 477553-21-2), with molecular formula C21H23NO5S and molecular weight 401.1297 g/mol. IUPAC: ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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