3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-2709 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C25 H30 N2 O5 |
| Smiles: | CCN1CCN(CC1)Cc1c(ccc2C(C(=C(C)Oc12)c1ccc(c(c1)OC)OC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.8477 |
| logD: | 1.916 |
| logSw: | -3.0787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.088 |
| InChI Key: | RKCLKKWMRRPVGZ-UHFFFAOYSA-N |