6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | F818-0158 |
| Compound Name: | 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 433.5 |
| Molecular Formula: | C19 H19 N3 O5 S2 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)S(c1ccc2c(c1)SC(N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6916 |
| logD: | 2.5748 |
| logSw: | -3.2247 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.753 |
| InChI Key: | REAUEMGBLVJTNG-UHFFFAOYSA-N |