4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-1-ethylquinolin-2(1H)-one
Chemical Structure Depiction of
4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-1-ethylquinolin-2(1H)-one
4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-1-ethylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | C547-0557 |
| Compound Name: | 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-1-ethylquinolin-2(1H)-one |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C25 H27 N3 O5 |
| Smiles: | CCN1C(C=C(c2ccccc12)OCC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.85 |
| logD: | 1.5504 |
| logSw: | -2.6332 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.582 |
| InChI Key: | IRKBIFDESWYXBS-UHFFFAOYSA-N |