N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
Compound characteristics
| Compound ID: | Y020-7194 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C21 H22 N4 O4 S |
| Smiles: | C(C1C(NCCN1C(Nc1ccccc1)=S)=O)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2159 |
| logD: | 1.2158 |
| logSw: | -2.3342 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.388 |
| InChI Key: | BXQVEPADPAZKIN-INIZCTEOSA-N |