{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{5-[(3-chlorobenzene-1-sulfinyl)methyl]furan-2-yl}methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{5-[(3-chlorobenzene-1-sulfinyl)methyl]furan-2-yl}methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{5-[(3-chlorobenzene-1-sulfinyl)methyl]furan-2-yl}methanone
Compound characteristics
| Compound ID: | E535-0922 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{5-[(3-chlorobenzene-1-sulfinyl)methyl]furan-2-yl}methanone |
| Molecular Weight: | 486.97 |
| Molecular Formula: | C24 H23 Cl N2 O5 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccc(CS(c2cccc(c2)[Cl])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6672 |
| logD: | 3.4796 |
| logSw: | -4.0171 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.525 |
| InChI Key: | IJZLJHSASVXYIY-UHFFFAOYSA-N |