methyl 2-{2-[2-(ethylsulfanyl)-5,7-dioxo-6-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[2-(ethylsulfanyl)-5,7-dioxo-6-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate
methyl 2-{2-[2-(ethylsulfanyl)-5,7-dioxo-6-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | L863-2052 |
| Compound Name: | methyl 2-{2-[2-(ethylsulfanyl)-5,7-dioxo-6-phenyl-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: | CCSc1nc2c(C(N(C(N2CC(Nc2ccccc2C(=O)OC)=O)=O)c2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9994 |
| logD: | 3.9905 |
| logSw: | -4.143 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.93 |
| InChI Key: | OASKMJJIKCMZDW-UHFFFAOYSA-N |