RefChem:1094545
(E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one;hydrochloride
Also Known As: Penten-3-one, 5-(4-(2-pyrimidyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride|Pyrimidine, 2-(4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)piperazinyl)-, hydrochloride|Piperazine, 1-(2-pyrimidyl)-4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)-, hydrochloride|(E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one hydrochloride|1-Penten-3-one, 5-[4-(2-pyrimidinyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-, monohydrochloride
| Molecular Formula | C22H29ClN4O4 |
|---|---|
| Molecular Weight | 448.18774 g/mol |
| LogP | 2.7188 |
| Topological Polar Surface Area | 77.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 448.18774 |
| Monoisotopic Mass | 448.18774 |
| Heavy Atoms | 31 |
| Complexity | 846.06464 |
Chemical Identifiers
| CAS Number | 37151-51-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)CCN2CCN(CC2)C3=NC=CC=N3.Cl |
Product Overview
RefChem:1094545 (CAS 37151-51-2), with molecular formula C22H29ClN4O4 and molecular weight 448.18774 g/mol. IUPAC: (E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one;hydrochloride.