{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{5-[(3-methylbenzene-1-sulfinyl)methyl]furan-2-yl}methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{5-[(3-methylbenzene-1-sulfinyl)methyl]furan-2-yl}methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{5-[(3-methylbenzene-1-sulfinyl)methyl]furan-2-yl}methanone
Compound characteristics
| Compound ID: | E535-0329 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{5-[(3-methylbenzene-1-sulfinyl)methyl]furan-2-yl}methanone |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C25 H26 N2 O5 S |
| Smiles: | Cc1cccc(c1)S(Cc1ccc(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4976 |
| logD: | 3.31 |
| logSw: | -3.6532 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.525 |
| InChI Key: | YHOIIGKDQRJYHV-XIFFEERXSA-N |