ethyl 4-[2-(4-butyl-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 4-[2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)acetamido]benzoate
ethyl 4-[2-(4-butyl-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: | L397-0418 |
| Compound Name: | ethyl 4-[2-(4-butyl-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: | CCCCN1C2=NN(CC(Nc3ccc(cc3)C(=O)OCC)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8903 |
| logD: | 3.8902 |
| logSw: | -3.7954 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.107 |
| InChI Key: | LKBSIPWLISRUBB-UHFFFAOYSA-N |