methyl 2-{2-[7-oxo-2-(thiomorpholin-4-yl)[1,3]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[7-oxo-2-(thiomorpholin-4-yl)[1,3]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
methyl 2-{2-[7-oxo-2-(thiomorpholin-4-yl)[1,3]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F801-0518 |
| Compound Name: | methyl 2-{2-[7-oxo-2-(thiomorpholin-4-yl)[1,3]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C19 H19 N5 O4 S2 |
| Smiles: | COC(c1ccccc1NC(CN1C=Nc2c(C1=O)sc(n2)N1CCSCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1875 |
| logD: | 2.1769 |
| logSw: | -3.0049 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.813 |
| InChI Key: | UESHETJNWVXVHX-UHFFFAOYSA-N |