3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G786-1945 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C23 H26 N2 O5 |
| Smiles: | CN1CCN(CC1)Cc1c(ccc2C=C(C(=O)Oc12)c1ccc(c(c1)OC)OC)O |
| Stereo: | ACHIRAL |
| logP: | 2.3552 |
| logD: | 1.5563 |
| logSw: | -3.0535 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.591 |
| InChI Key: | XLHSZLNURASZBC-UHFFFAOYSA-N |