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-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-chloro-4-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-chloro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | L397-0437 |
| 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-methylphenyl)acetamide |
| Molecular Weight: | 445.93 |
| Molecular Formula: | C20 H20 Cl N5 O3 S |
| Smiles: | CCCCN1C2=NN(CC(Nc3ccc(C)cc3[Cl])=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0127 |
| logD: | 4.0126 |
| logSw: | -4.2579 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.655 |
| InChI Key: | YOMKVMGNUWMJBU-UHFFFAOYSA-N |