3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene
1-[2-[4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenoxy]ethyl]pyrrolidine
| Molecular Formula | C33H38N2O2S |
|---|---|
| Molecular Weight | 526.7 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 53.2 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 526.2654 |
| Heavy Atoms | 38 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 193960-57-5 |
|---|---|
| SMILES | C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)OCCN6CCCC6 |
| InChIKey | MBVYSLWWSSHIRS-UHFFFAOYSA-N |
📖 Product Overview
3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene (CAS: 193960-57-5) is a chemical compound with molecular formula C33H38N2O2S and molecular weight 526.7 g/mol. Its IUPAC systematic name is 1-[2-[4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenoxy]ethyl]pyrrolidine.
MBVYSLWWSSHIRS-UHFFFAOYSA-N.
SMILES: C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)OCCN6CCCC6.
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