{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{5-[(4-methoxybenzene-1-sulfinyl)methyl]furan-2-yl}methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{5-[(4-methoxybenzene-1-sulfinyl)methyl]furan-2-yl}methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{5-[(4-methoxybenzene-1-sulfinyl)methyl]furan-2-yl}methanone
Compound characteristics
| Compound ID: | E535-3774 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{5-[(4-methoxybenzene-1-sulfinyl)methyl]furan-2-yl}methanone |
| Molecular Weight: | 482.55 |
| Molecular Formula: | C25 H26 N2 O6 S |
| Smiles: | COc1ccc(cc1)S(Cc1ccc(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1259 |
| logD: | 2.9383 |
| logSw: | -3.4257 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.068 |
| InChI Key: | JNWYQBYZHIMCTK-UHFFFAOYSA-N |