2-(3,4-dimethoxyphenyl)-1-{3-[(4-ethylpiperazin-1-yl)methyl]-2,4-dihydroxyphenyl}ethan-1-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-1-{3-[(4-ethylpiperazin-1-yl)methyl]-2,4-dihydroxyphenyl}ethan-1-one
2-(3,4-dimethoxyphenyl)-1-{3-[(4-ethylpiperazin-1-yl)methyl]-2,4-dihydroxyphenyl}ethan-1-one
Compound characteristics
| Compound ID: | IB05-2442 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-{3-[(4-ethylpiperazin-1-yl)methyl]-2,4-dihydroxyphenyl}ethan-1-one |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C23 H30 N2 O5 |
| Smiles: | CCN1CCN(CC1)Cc1c(ccc(C(Cc2ccc(c(c2)OC)OC)=O)c1O)O |
| Stereo: | ACHIRAL |
| logP: | 2.4 |
| logD: | 1.69 |
| logSw: | -2.61 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.03 |
| InChI Key: | QSKRCGGLLKGGBT-UHFFFAOYSA-N |