methyl 2-{2-[5-methyl-7-oxo-3-(pyridin-4-yl)[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[5-methyl-7-oxo-3-(pyridin-4-yl)[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
methyl 2-{2-[5-methyl-7-oxo-3-(pyridin-4-yl)[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M586-1472 |
| Compound Name: | methyl 2-{2-[5-methyl-7-oxo-3-(pyridin-4-yl)[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | CC1=Nc2c(c3ccncc3)nsc2C(N1CC(Nc1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9037 |
| logD: | 1.8874 |
| logSw: | -2.6719 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.177 |
| InChI Key: | YCSLSCJWNXEBKV-UHFFFAOYSA-N |