2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)-N-(2-ethyl-6-methylphenyl)acetamide
Chemical Structure Depiction of
2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)-N-(2-ethyl-6-methylphenyl)acetamide
2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)-N-(2-ethyl-6-methylphenyl)acetamide
Compound characteristics
| Compound ID: | L397-0491 |
| Compound Name: | 2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)-N-(2-ethyl-6-methylphenyl)acetamide |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C22 H25 N5 O3 S |
| Smiles: | CCCCN1C2=NN(CC(Nc3c(C)cccc3CC)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9576 |
| logD: | 3.9576 |
| logSw: | -3.7362 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.957 |
| InChI Key: | XITKIBAWMRXDDI-UHFFFAOYSA-N |