N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F798-0251 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 485.58 |
| Molecular Formula: | C22 H23 N5 O4 S2 |
| Smiles: | CC(C)CCN1C(c2c(ccs2)n2c1nnc2SCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6786 |
| logD: | 3.6786 |
| logSw: | -3.9392 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.167 |
| InChI Key: | HJCQOADUDGUKJA-UHFFFAOYSA-N |