1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | G658-0035 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)ethan-1-one |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(CN1CCSc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4267 |
| logD: | 2.2352 |
| logSw: | -2.8044 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.85 |
| InChI Key: | ZMDAZUQWBNDGMX-UHFFFAOYSA-N |