2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N-(2,4,6-trimethylphenyl)acetamide
2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
| Compound ID: | L397-0368 |
| Compound Name: | 2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N-(2,4,6-trimethylphenyl)acetamide |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C22 H25 N5 O3 S |
| Smiles: | CC(C)CN1C2=NN(CC(Nc3c(C)cc(C)cc3C)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7798 |
| logD: | 3.7798 |
| logSw: | -3.8979 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.979 |
| InChI Key: | VPJQRFRGLTUHCT-UHFFFAOYSA-N |