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-chloro-4-fluorophenyl)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-chloro-4-fluorophenyl)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-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | L397-0466 |
| 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-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 449.89 |
| Molecular Formula: | C19 H17 Cl F N5 O3 S |
| Smiles: | CCCCN1C2=NN(CC(Nc3ccc(cc3[Cl])F)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.722 |
| logD: | 3.719 |
| logSw: | -3.8734 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.655 |
| InChI Key: | NHJPHUDLWZTYLP-UHFFFAOYSA-N |