1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(4-chloro-2-methylphenoxy)butan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(4-chloro-2-methylphenoxy)butan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(4-chloro-2-methylphenoxy)butan-1-one
Compound characteristics
| Compound ID: | 6048-0516 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(4-chloro-2-methylphenoxy)butan-1-one |
| Molecular Weight: | 430.93 |
| Molecular Formula: | C23 H27 Cl N2 O4 |
| Smiles: | Cc1cc(ccc1OCCCC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3242 |
| logD: | 3.9799 |
| logSw: | -4.3957 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.52 |
| InChI Key: | BUGZAOXJKSBMNV-UHFFFAOYSA-N |