methyl 2-{2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamido}benzoate
methyl 2-{2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | L397-0283 |
| Compound Name: | methyl 2-{2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamido}benzoate |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C22 H23 N5 O5 S |
| Smiles: | CC(C)CCN1C2=NN(CC(Nc3ccccc3C(=O)OC)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3285 |
| logD: | 3.3235 |
| logSw: | -3.7309 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.829 |
| InChI Key: | OXTZGPOVHDDJEN-UHFFFAOYSA-N |