3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | E013-1836 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Smiles: | CC1=C(c2ccc(cc2)OC)S(N=C1N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1109 |
| logD: | 2.5865 |
| logSw: | -3.2891 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.33 |
| InChI Key: | JKBGZDSBTSGYMJ-UHFFFAOYSA-N |