methyl 2-{2-[5,7-dioxo-2-(piperidin-1-yl)-6-(propan-2-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[5,7-dioxo-2-(piperidin-1-yl)-6-(propan-2-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate
methyl 2-{2-[5,7-dioxo-2-(piperidin-1-yl)-6-(propan-2-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | L862-1030 |
| Compound Name: | methyl 2-{2-[5,7-dioxo-2-(piperidin-1-yl)-6-(propan-2-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C23 H27 N5 O5 S |
| Smiles: | CC(C)N1C(c2c(nc(N3CCCCC3)s2)N(CC(Nc2ccccc2C(=O)OC)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8457 |
| logD: | 3.8347 |
| logSw: | -3.9053 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.44 |
| InChI Key: | JXLKUYQFKWIHEN-UHFFFAOYSA-N |