ethyl 2-{2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamido}benzoate
ethyl 2-{2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | L397-0331 |
| Compound Name: | ethyl 2-{2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamido}benzoate |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C22 H23 N5 O5 S |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N2C(=N1)N(CC(C)C)C(c1c2ccs1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5348 |
| logD: | 3.5298 |
| logSw: | -3.7345 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.43 |
| InChI Key: | ZJADAFIVUSOSKA-UHFFFAOYSA-N |