1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(2,4-dichlorophenoxy)butan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(2,4-dichlorophenoxy)butan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(2,4-dichlorophenoxy)butan-1-one
Compound characteristics
| Compound ID: | Y030-5040 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(2,4-dichlorophenoxy)butan-1-one |
| Molecular Weight: | 451.35 |
| Molecular Formula: | C22 H24 Cl2 N2 O4 |
| Smiles: | C(CC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)COc1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8289 |
| logD: | 3.4846 |
| logSw: | -4.1961 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.52 |
| InChI Key: | UCSDQOOLWDWDCE-UHFFFAOYSA-N |