methyl 2-{2-[6-(2-methylphenyl)-2-(methylsulfanyl)-5,7-dioxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[6-(2-methylphenyl)-2-(methylsulfanyl)-5,7-dioxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate
methyl 2-{2-[6-(2-methylphenyl)-2-(methylsulfanyl)-5,7-dioxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | L863-1462 |
| Compound Name: | methyl 2-{2-[6-(2-methylphenyl)-2-(methylsulfanyl)-5,7-dioxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C23 H20 N4 O5 S2 |
| Smiles: | Cc1ccccc1N1C(c2c(nc(SC)s2)N(CC(Nc2ccccc2C(=O)OC)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.232 |
| logD: | 4.223 |
| logSw: | -4.3628 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.629 |
| InChI Key: | KQKUFTUUEIDBON-UHFFFAOYSA-N |