6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-(methylsulfanyl)-1,3-benzothiazole
Chemical Structure Depiction of
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-(methylsulfanyl)-1,3-benzothiazole
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-(methylsulfanyl)-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8015-0890 |
| Compound Name: | 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-(methylsulfanyl)-1,3-benzothiazole |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C20 H21 N3 O4 S3 |
| Smiles: | CSc1nc2ccc(cc2s1)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8244 |
| logD: | 3.7293 |
| logSw: | -3.984 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 61.687 |
| InChI Key: | WMUXSBPLVYJYQP-UHFFFAOYSA-N |