2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-chlorophenyl)-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}-3-chlorophenyl)-1lambda~6~,2-thiazolidine-1,1,3-trione
2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-chlorophenyl)-1lambda~6~,2-thiazolidine-1,1,3-trione
Compound characteristics
| Compound ID: | D473-1301 |
| Compound Name: | 2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-chlorophenyl)-1lambda~6~,2-thiazolidine-1,1,3-trione |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C22 H22 Cl N3 O6 S |
| Smiles: | C1CS(N(C1=O)c1ccc(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c(c1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1469 |
| logD: | 0.9553 |
| logSw: | -3.1241 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.96 |
| InChI Key: | VWRYJCLXNBIQMD-UHFFFAOYSA-N |