2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)-N-(5-chloro-2-methoxyphenyl)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-(5-chloro-2-methoxyphenyl)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-(5-chloro-2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | L397-0458 |
| 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-(5-chloro-2-methoxyphenyl)acetamide |
| Molecular Weight: | 461.93 |
| Molecular Formula: | C20 H20 Cl N5 O4 S |
| Smiles: | CCCCN1C2=NN(CC(Nc3cc(ccc3OC)[Cl])=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5418 |
| logD: | 3.5404 |
| logSw: | -3.8604 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.286 |
| InChI Key: | GEXBINGNVWSBRJ-UHFFFAOYSA-N |