ethyl 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-2-carboxylate
Chemical Structure Depiction of
ethyl 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-2-carboxylate
ethyl 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-2-carboxylate
Compound characteristics
| Compound ID: | 6737-1162 |
| Compound Name: | ethyl 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-2-carboxylate |
| Molecular Weight: | 482.53 |
| Molecular Formula: | C26 H30 N2 O7 |
| Smiles: | CCOC(C1=C(C(c2ccc(c(CN3CCN(C)CC3)c2O1)O)=O)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6043 |
| logD: | 1.8054 |
| logSw: | -2.9604 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.734 |
| InChI Key: | YZVGBXXHBXAQQK-UHFFFAOYSA-N |