2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-1lambda~6~,2-thiazolidine-1,1-dione
Chemical Structure Depiction of
2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-1lambda~6~,2-thiazolidine-1,1-dione
2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-1lambda~6~,2-thiazolidine-1,1-dione
Compound characteristics
| Compound ID: | G025-0089 |
| Compound Name: | 2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-1lambda~6~,2-thiazolidine-1,1-dione |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C22 H25 N3 O5 S |
| Smiles: | C1CN(c2ccc(cc2)C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)S(C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2619 |
| logD: | 1.0703 |
| logSw: | -2.3646 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.578 |
| InChI Key: | FFBDPNVRQNUUTO-UHFFFAOYSA-N |