Ciladopa
2-[4-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
Also Known As: Ciladopa|AC1Q6MSY|AC1L1I8U|SGEKLKJQLHJVDK-UHFFFAOYSA-N|2-[4-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one|2-[4-[2-Hydroxy-2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinyl]-2,4,6-cycloheptatrien-1-one|2-{4-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl}cyclohepta-2,4,6-trien-1-one
| Molecular Formula | C21H26N2O4 |
|---|---|
| Molecular Weight | 370.18927 g/mol |
| LogP | 1.92 |
| Topological Polar Surface Area | 62.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.18927 |
| Heavy Atoms | 27 |
| Complexity | 819.2 |
Chemical Identifiers
| CAS Number | 80109-27-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(CN2CCN(CC2)C3=CC=CC=CC3=O)O)OC |
Product Overview
Ciladopa (CAS 80109-27-9), with molecular formula C21H26N2O4 and molecular weight 370.18927 g/mol. IUPAC: 2-[4-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one.
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