N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-ethyl-7-oxo-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-{[6-ethyl-7-oxo-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-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L387-4933 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-ethyl-7-oxo-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: | CCN1C(=Nc2c(C1=O)sc(n2)N1CCCC1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.799 |
| logD: | 2.799 |
| logSw: | -3.2895 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.954 |
| InChI Key: | HTFQGBTWKFCSMJ-UHFFFAOYSA-N |