AC1N8B6G
methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_454263|F0882-0200|methyl 2-(2,3-dihydro-1,4-benzodioxine-6-amido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C20H21NO5S |
|---|---|
| Molecular Weight | 387.11404 g/mol |
| LogP | 3.683 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.11404 |
| Monoisotopic Mass | 387.11404 |
| Heavy Atoms | 27 |
| Complexity | 904.0173 |
Chemical Identifiers
| CAS Number | 477553-18-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=C3)OCCO4 |
Product Overview
AC1N8B6G (CAS 477553-18-7), with molecular formula C20H21NO5S and molecular weight 387.11404 g/mol. IUPAC: methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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