N-(2H-1,3-benzodioxol-5-yl)-2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
Compound characteristics
| Compound ID: | L862-0450 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C22 H23 N5 O5 S |
| Smiles: | C=CCN1C(c2c(nc(N3CCCCC3)s2)N(CC(Nc2ccc3c(c2)OCO3)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8138 |
| logD: | 3.8138 |
| logSw: | -3.8305 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.338 |
| InChI Key: | HSCQDABWDBGBMR-UHFFFAOYSA-N |