1-(2,3-Dihydro[2,4'-bibenzo[b]thiophen]-4-yl)-piperazine - CAS 1420987-85-4
Catalog: |
BB067629 |
Product Name: |
1-(2,3-Dihydro[2,4'-bibenzo[b]thiophen]-4-yl)-piperazine |
CAS: |
1420987-85-4 |
Synonyms: |
1-[2-(1-benzothiophen-4-yl)-2,3-dihydro-1-benzothiophen-4-yl]piperazine; 1-(2,3-dihydro-[2,4'-bibenzo[b]thiophen]-4-yl)piperazine? (Brexpiprazole Impurity pound(c) |
IUPAC Name: | 1-[2-(1-benzothiophen-4-yl)-2,3-dihydro-1-benzothiophen-4-yl]piperazine |
Description: | 1-(2,3-Dihydro[2,4'-bibenzo[b]thiophen]-4-yl)-piperazine is a useful synthetic intermediate. |
Molecular Weight: | 352.52 |
Molecular Formula: | C20H20N2S2 |
Canonical SMILES: | C1CN(CCN1)C2=C3CC(SC3=CC=C2)C4=C5C=CSC5=CC=C4 |
InChI: | InChI=1S/C20H20N2S2/c1-3-14(15-7-12-23-18(15)5-1)20-13-16-17(4-2-6-19(16)24-20)22-10-8-21-9-11-22/h1-7,12,20-21H,8-11,13H2 |
InChI Key: | QOLJDCZXEUUSKM-UHFFFAOYSA-N |
Complexity: | 439 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 352.10679099 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 352.10679099 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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