3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methyl-5-[4-(propan-2-yl)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-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | E013-3144 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C25 H29 N3 O4 S |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.4667 |
| logD: | 3.9423 |
| logSw: | -4.2719 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.786 |
| InChI Key: | XZDYESUFKJYDII-UHFFFAOYSA-N |