2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)-N-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | L397-0446 |
| 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-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C21 H23 N5 O5 S |
| Smiles: | CCCCN1C2=NN(CC(Nc3ccc(c(c3)OC)OC)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8238 |
| logD: | 2.8238 |
| logSw: | -3.4278 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.614 |
| InChI Key: | MVDAZVVOUQXOJS-UHFFFAOYSA-N |