1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-chlorophenoxy)-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-chlorophenoxy)-2-methylpropan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-chlorophenoxy)-2-methylpropan-1-one
Compound characteristics
| Compound ID: | 6040-0196 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-chlorophenoxy)-2-methylpropan-1-one |
| Molecular Weight: | 416.9 |
| Molecular Formula: | C22 H25 Cl N2 O4 |
| Smiles: | CC(C)(C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)Oc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8014 |
| logD: | 3.2504 |
| logSw: | -4.4225 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.762 |
| InChI Key: | DRQMCMXVSCMUMN-UHFFFAOYSA-N |