N-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-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: | L387-5167 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-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: | 487.6 |
| Molecular Formula: | C22 H25 N5 O4 S2 |
| Smiles: | CC(C)N1C(=Nc2c(C1=O)sc(n2)N1CCCC1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1885 |
| logD: | 3.1884 |
| logSw: | -3.4061 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.95 |
| InChI Key: | IIYSZUPTRJSAJJ-UHFFFAOYSA-N |