1-[4-(2H-1,3-benzodioxol-5-yl)piperazin-1-yl]-2-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-[4-(2H-1,3-benzodioxol-5-yl)piperazin-1-yl]-2-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}ethan-1-one--hydrogen chloride (1/1)
1-[4-(2H-1,3-benzodioxol-5-yl)piperazin-1-yl]-2-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D349-0514 |
| Compound Name: | 1-[4-(2H-1,3-benzodioxol-5-yl)piperazin-1-yl]-2-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 535 |
| Molecular Formula: | C28 H26 N4 O5 |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)c1nc(c2ccccc2OCC(N2CCN(CC2)c2ccc3c(c2)OCO3)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.7759 |
| logD: | 4.7757 |
| logSw: | -4.5133 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.727 |
| InChI Key: | BLVXDOQAPGGVQF-UHFFFAOYSA-N |