1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(2-chloro-6-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(2-chloro-6-fluorophenyl)ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(2-chloro-6-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | Y031-0111 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(2-chloro-6-fluorophenyl)ethan-1-one |
| Molecular Weight: | 390.84 |
| Molecular Formula: | C20 H20 Cl F N2 O3 |
| Smiles: | C(C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)c1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.2305 |
| logD: | 2.9127 |
| logSw: | -3.4118 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.015 |
| InChI Key: | OGJHSDNLKWOMMS-UHFFFAOYSA-N |