N-(2H-1,3-benzodioxol-5-yl)-2-{[7-oxo-6-(propan-2-yl)-2-(pyrrolidin-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-{[7-oxo-6-(propan-2-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[7-oxo-6-(propan-2-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L387-5166 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[7-oxo-6-(propan-2-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C21 H23 N5 O4 S2 |
| Smiles: | CC(C)N1C(=Nc2c(C1=O)sc(n2)N1CCCC1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.049 |
| logD: | 4.049 |
| logSw: | -4.0306 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.243 |
| InChI Key: | XDGFYOWOVKXHOV-UHFFFAOYSA-N |