2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-1lambda~6~,2-thiazolidine-1,1,3-trione
Chemical Structure Depiction of
2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-1lambda~6~,2-thiazolidine-1,1,3-trione
2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-1lambda~6~,2-thiazolidine-1,1,3-trione
Compound characteristics
| Compound ID: | D473-0823 |
| Compound Name: | 2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-1lambda~6~,2-thiazolidine-1,1,3-trione |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C22 H23 N3 O6 S |
| Smiles: | C1CS(N(C1=O)c1ccc(cc1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5654 |
| logD: | 0.3738 |
| logSw: | -2.2385 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.96 |
| InChI Key: | JFNVCNBZXDGWQM-UHFFFAOYSA-N |