1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-ethoxy-3-methylbenzene-1-sulfonyl)piperazine
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-ethoxy-3-methylbenzene-1-sulfonyl)piperazine
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-ethoxy-3-methylbenzene-1-sulfonyl)piperazine
Compound characteristics
| Compound ID: | Y050-1147 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-ethoxy-3-methylbenzene-1-sulfonyl)piperazine |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Smiles: | CCOc1ccc(cc1C)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4584 |
| logD: | 3.3633 |
| logSw: | -3.6757 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.815 |
| InChI Key: | VLFCJAFIEOTCCQ-UHFFFAOYSA-N |