methyl 4-{2-[3-(4-fluorophenyl)-7-oxo[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[3-(4-fluorophenyl)-7-oxo[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
methyl 4-{2-[3-(4-fluorophenyl)-7-oxo[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M108-0224 |
| Compound Name: | methyl 4-{2-[3-(4-fluorophenyl)-7-oxo[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate |
| Molecular Weight: | 438.44 |
| Molecular Formula: | C21 H15 F N4 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C=Nc2c(c3ccc(cc3)F)nsc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1484 |
| logD: | 3.1483 |
| logSw: | -3.4478 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.4 |
| InChI Key: | RPTKHLPFLUDAPO-UHFFFAOYSA-N |