7-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-4,8-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-4,8-dimethyl-2H-1-benzopyran-2-one
7-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-4,8-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-3102 |
| Compound Name: | 7-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-4,8-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C25 H26 N2 O6 |
| Smiles: | CC1=CC(=O)Oc2c1ccc(c2C)OCC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5143 |
| logD: | 2.2147 |
| logSw: | -3.1631 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.693 |
| InChI Key: | DUYHPFIIHXCLSG-UHFFFAOYSA-N |