LU 5-044 hydrochloride
3-[3,3-dimethyl-1-(phenylcarbamoyl)-2-benzothiophen-1-yl]propyl-dimethylazanium chloride
| Molecular Formula | C22H29ClN2OS |
|---|---|
| Molecular Weight | 405.0 g/mol |
| Topological Polar Surface Area | 58.8 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.1689 |
| Heavy Atoms | 27 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 26106-22-9 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(S1)(CCC[NH+](C)C)C(=O)NC3=CC=CC=C3)C.[Cl-] |
| InChIKey | QZOHYRCCXGSZHK-UHFFFAOYSA-N |
📖 Product Overview
LU 5-044 hydrochloride (CAS: 26106-22-9) is a chemical compound with molecular formula C22H29ClN2OS and molecular weight 405.0 g/mol. Its IUPAC systematic name is 3-[3,3-dimethyl-1-(phenylcarbamoyl)-2-benzothiophen-1-yl]propyl-dimethylazanium chloride.
QZOHYRCCXGSZHK-UHFFFAOYSA-N.
SMILES: CC1(C2=CC=CC=C2C(S1)(CCC[NH+](C)C)C(=O)NC3=CC=CC=C3)C.[Cl-].
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