2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)-N-[(2,3-dimethoxyphenyl)methyl]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-[(2,3-dimethoxyphenyl)methyl]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-[(2,3-dimethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C200-7926 |
| 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-[(2,3-dimethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C22 H25 N5 O5 S |
| Smiles: | CCCCN1C2=NN(CC(NCc3cccc(c3OC)OC)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0076 |
| logD: | 3.0076 |
| logSw: | -3.3185 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.023 |
| InChI Key: | MDLFXPUYKSPUNZ-UHFFFAOYSA-N |