methyl 4-{2-[5-ethyl-7-oxo-3-(pyridin-4-yl)[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[5-ethyl-7-oxo-3-(pyridin-4-yl)[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
methyl 4-{2-[5-ethyl-7-oxo-3-(pyridin-4-yl)[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M586-1580 |
| Compound Name: | methyl 4-{2-[5-ethyl-7-oxo-3-(pyridin-4-yl)[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | CCC1=Nc2c(c3ccncc3)nsc2C(N1CC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6064 |
| logD: | 2.606 |
| logSw: | -2.8273 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.967 |
| InChI Key: | UQQXAOBZRJMQRL-UHFFFAOYSA-N |