N-(2H-1,3-benzodioxol-5-yl)-2-{[6-methyl-7-oxo-2-(piperidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-methyl-7-oxo-2-(piperidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-methyl-7-oxo-2-(piperidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L387-2007 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[6-methyl-7-oxo-2-(piperidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C20 H21 N5 O4 S2 |
| Smiles: | CN1C(=Nc2c(C1=O)sc(n2)N1CCCCC1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4121 |
| logD: | 3.4121 |
| logSw: | -3.7746 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.922 |
| InChI Key: | KCOZBPJXLLWELW-UHFFFAOYSA-N |