methyl 2-{2-[2-(methylsulfanyl)-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-(methylsulfanyl)-5,7-dioxo-6-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate
methyl 2-{2-[2-(methylsulfanyl)-5,7-dioxo-6-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | L863-0022 |
| Compound Name: | methyl 2-{2-[2-(methylsulfanyl)-5,7-dioxo-6-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C22 H18 N4 O5 S2 |
| Smiles: | COC(c1ccccc1NC(CN1C(N(C(c2c1nc(SC)s2)=O)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5643 |
| logD: | 3.5554 |
| logSw: | -3.7737 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.93 |
| InChI Key: | QCRVEVYEWDSBGV-UHFFFAOYSA-N |