7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0020 |
| Compound Name: | 7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 302.37 |
| Molecular Formula: | C17 H22 N2 O3 |
| Smiles: | CC1=C(C)c2ccc(c(CN3CCN(C)CC3)c2OC1=O)O |
| Stereo: | ACHIRAL |
| logP: | 1.9087 |
| logD: | 1.1097 |
| logSw: | -2.7788 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.602 |
| InChI Key: | TXUYOJWVBZUXFX-UHFFFAOYSA-N |