2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-4,4-dimethyl-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)-4,4-dimethyl-1lambda~6~,2-thiazolidine-1,1,3-trione
2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-4,4-dimethyl-1lambda~6~,2-thiazolidine-1,1,3-trione
Compound characteristics
| Compound ID: | D473-1141 |
| Compound Name: | 2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-4,4-dimethyl-1lambda~6~,2-thiazolidine-1,1,3-trione |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C24 H27 N3 O6 S |
| Smiles: | CC1(C)CS(N(C1=O)c1ccc(cc1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8823 |
| logD: | 1.6907 |
| logSw: | -2.7067 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.682 |
| InChI Key: | MOVJZXFZHUFDLC-UHFFFAOYSA-N |