2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N-(2-phenylethyl)acetamide
2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | C200-7930 |
| Compound Name: | 2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C22 H25 N5 O3 S |
| Smiles: | CC(C)CCN1C2=NN(CC(NCCc3ccccc3)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9564 |
| logD: | 2.9564 |
| logSw: | -3.4401 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.517 |
| InChI Key: | XIKOSSYNHKFXQK-UHFFFAOYSA-N |