N-(2H-1,3-benzodioxol-5-yl)-2-[(6-ethyl-7-oxo-3-phenyl-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(6-ethyl-7-oxo-3-phenyl-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(6-ethyl-7-oxo-3-phenyl-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M109-0541 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(6-ethyl-7-oxo-3-phenyl-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C22 H18 N4 O4 S2 |
| Smiles: | CCN1C(=Nc2c(c3ccccc3)nsc2C1=O)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8601 |
| logD: | 3.8601 |
| logSw: | -3.9099 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.771 |
| InChI Key: | JGGPXFMMYVNGIF-UHFFFAOYSA-N |