2-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxopropan-2-yl)-1,2-benzothiazol-3(2H)-one
Chemical Structure Depiction of
2-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxopropan-2-yl)-1,2-benzothiazol-3(2H)-one
2-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxopropan-2-yl)-1,2-benzothiazol-3(2H)-one
Compound characteristics
| Compound ID: | E022-0651 |
| Compound Name: | 2-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxopropan-2-yl)-1,2-benzothiazol-3(2H)-one |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CC(C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)N1C(c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.426 |
| logD: | 2.1497 |
| logSw: | -3.04 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.104 |
| InChI Key: | PVDXDHPUXQLYRV-HNNXBMFYSA-N |