3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | E013-3471 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CC1=C(c2ccccc2)S(N=C1N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0235 |
| logD: | 2.499 |
| logSw: | -3.1984 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.786 |
| InChI Key: | IRWSFGGREOIFSQ-UHFFFAOYSA-N |